1873
Pathway
Cyanate Degradation
The cyanate degradation pathway begins with the transportation of cyanate into the cytosol through a cynX transporter. Once inside the cytosol cyanate reacts with hydrogen carbonate and a hydrogen ion through a cyanase resulting in the release of carbon dioxide and carbamate. Carbamate reacts spontaneously with hydrogen resulting in the release of ammonium and carbon dioxide. Carbon dioxide reacts with water through carbonic anhydrase resulting in the release of hydrogen ion and hydrogen carbonate.
Metabolic
PW002099
Center
PathwayVisualizationContext2386
1263
1801
#000099
PathwayVisualization1857
1873
Cyanate Degradation
The cyanate degradation pathway begins with the transportation of cyanate into the cytosol through a cynX transporter. Once inside the cytosol cyanate reacts with hydrogen carbonate and a hydrogen ion through a cyanase resulting in the release of carbon dioxide and carbamate. Carbamate reacts spontaneously with hydrogen resulting in the release of ammonium and carbon dioxide. Carbon dioxide reacts with water through carbonic anhydrase resulting in the release of hydrogen ion and hydrogen carbonate.
Metabolic
3
3942
8444806
Guilloton MB, Lamblin AF, Kozliak EI, Gerami-Nejad M, Tu C, Silverman D, Anderson PM, Fuchs JA: A physiological role for cyanate-induced carbonic anhydrase in Escherichia coli. J Bacteriol. 1993 Mar;175(5):1443-51.
1873
Pathway
3943
7768821
Kozliak EI, Fuchs JA, Guilloton MB, Anderson PM: Role of bicarbonate/CO2 in the inhibition of Escherichia coli growth by cyanate. J Bacteriol. 1995 Jun;177(11):3213-9.
1873
Pathway
3944
3034861
Sung YC, Parsell D, Anderson PM, Fuchs JA: Identification, mapping, and cloning of the gene encoding cyanase in Escherichia coli K-12. J Bacteriol. 1987 Jun;169(6):2639-42.
1873
Pathway
1
Cell
CL:0000000
5
Hepatocyte
CL:0000182
3
Neuron
CL:0000540
12
Astrocyte
CL:0000127
4
Cardiomyocyte
CL:0000746
7
Epithelial Cell
CL:0000066
1
Homo sapiens
9606
Eukaryote
Human
3
Escherichia coli
562
Prokaryote
12
Mus musculus
10090
Eukaryote
Mouse
2
Bacteria
2
Prokaryote
Bacteria
24
Solanum lycopersicum
4081
Eukaryote
Tomato
18
Saccharomyces cerevisiae
4932
Eukaryote
Yeast
21
Xenopus laevis
8355
Eukaryote
African clawed frog
4
Arabidopsis thaliana
3702
Eukaryote
Thale cress
6
Caenorhabditis elegans
6239
Eukaryote
Roundworm
25
Escherichia coli (strain K12)
83333
Prokaryote
23
Pseudomonas aeruginosa
287
Prokaryote
60
Nitzschia sp.
0001
Eukaryote
Nitzschia4
17
Rattus norvegicus
10116
Eukaryote
Rat
5
Bos taurus
9913
Eukaryote
Cattle
10
Drosophila melanogaster
7227
Eukaryote
Fruit fly
202
Spathaspora passalidarum
340170
Eukaryote
Spathaspora passalidarum
49
Bathymodiolus platifrons
220390
Eukaryote
Deep sea mussel
19
Schizosaccharomyces pombe
4896
Eukaryote
3
Mitochondrial Matrix
GO:0005759
5
Cytoplasm
GO:0005737
11
Extracellular Space
GO:0005615
2
Mitochondrion
GO:0005739
1
Cytosol
GO:0005829
7
Endoplasmic Reticulum Membrane
GO:0005789
12
Mitochondrial Inner Membrane
GO:0005743
14
Mitochondrial Outer Membrane
GO:0005741
24
Mitochondrial Intermembrane Space
GO:0005758
13
Endoplasmic Reticulum
GO:0005783
31
Periplasmic Space
GO:0005620
35
Chloroplast
GO:0009507
4
Peroxisome
GO:0005777
10
Cell Membrane
GO:0005886
36
Membrane
GO:0016020
53
Endoplasmic Reticulum Body
GO:0010168
34
Plant-Type Vacuole
GO:0000325
32
Inner Membrane
GO:0070258
25
Golgi Apparatus
GO:0005794
6
Lysosome
GO:0005764
16
Lysosomal Lumen
GO:0043202
18
Melanosome Membrane
GO:0033162
20
Endoplasmic Reticulum Lumen
GO:0005788
21
Synapse
GO:0045202
15
Nucleus
GO:0005634
40
Periplasm
GO:0042597
1
Liver
BTO:0000759
72
9
28
Stomach
BTO:0001307
155
26
8
Blood Vessel
BTO:0001102
74
11
24
Brain
BTO:0000142
89
16
4
Adrenal Medulla
BTO:0000049
71
8
25
Intestine
BTO:0000648
7
Nervous System
BTO:0001484
11
Heart
BTO:0000562
73
10
6
Kidney
BTO:0000671
71
8
4
3
1
1
PW_BS000004
8
5
1
1
PW_BS000008
15
11
1
PW_BS000015
31
1
5
1
1
PW_BS000031
3
2
1
1
PW_BS000003
2
1
1
1
PW_BS000002
26
1
1
1
5
PW_BS000026
54
1
3
1
5
PW_BS000054
49
7
1
1
PW_BS000049
17
12
1
1
PW_BS000017
22
14
1
1
PW_BS000022
42
24
1
1
PW_BS000042
10
1
7
1
1
PW_BS000010
18
13
1
1
PW_BS000018
70
28
5
1
1
PW_BS000070
103
3
3
1
PW_BS000103
111
5
12
1
PW_BS000111
112
2
12
1
PW_BS000112
108
1
3
PW_BS000108
107
31
3
PW_BS000107
100
5
2
1
PW_BS000100
105
11
3
PW_BS000105
117
1
3
1
PW_BS000117
147
1
24
1
PW_BS000147
155
3
24
1
PW_BS000155
157
2
24
1
PW_BS000157
161
3
18
1
PW_BS000161
159
24
PW_BS000159
166
1
1
PW_BS000166
178
3
21
1
PW_BS000178
152
8
4
PW_BS000152
101
5
3
1
PW_BS000101
188
1
18
PW_BS000024
187
31
18
PW_BS000024
163
2
18
1
PW_BS000163
205
5
6
1
PW_BS000024
206
2
6
1
PW_BS000024
219
31
4
PW_BS000024
220
1
4
PW_BS000024
222
3
4
1
PW_BS000024
213
7
18
1
PW_BS000024
210
13
18
1
PW_BS000024
212
1
7
18
1
PW_BS000024
160
1
18
1
PW_BS000160
170
18
PW_BS000170
225
35
4
1
PW_BS000024
151
1
4
1
PW_BS000151
226
4
4
1
PW_BS000024
162
12
18
1
PW_BS000162
224
2
4
1
PW_BS000024
195
13
18
PW_BS000024
249
13
4
1
PW_BS000024
164
4
PW_BS000164
281
1
25
1
PW_BS000024
285
10
4
1
PW_BS000024
286
36
4
1
PW_BS000024
287
53
4
1
PW_BS000024
227
34
4
1
PW_BS000024
223
12
4
1
PW_BS000024
294
11
4
1
PW_BS000024
308
10
1
1
PW_BS000024
315
1
23
PW_BS000024
318
31
23
PW_BS000024
322
1
23
1
PW_BS000024
312
5
23
1
PW_BS000024
320
11
23
PW_BS000024
293
4
1
PW_BS000024
133
3
12
1
PW_BS000133
134
12
12
1
PW_BS000134
331
7
12
1
PW_BS000028
114
11
12
PW_BS000114
132
1
12
1
PW_BS000132
327
1
1
12
5
PW_BS000028
347
1
3
12
5
PW_BS000028
345
24
12
1
PW_BS000028
130
13
12
1
PW_BS000130
368
3
60
1
PW_BS000028
310
31
2
PW_BS000024
304
1
2
PW_BS000024
119
2
17
1
PW_BS000119
124
1
5
1
PW_BS000124
383
7
5
1
PW_BS000100
388
1
6
1
PW_BS000112
94
3
PW_BS000094
390
7
6
1
PW_BS000112
398
7
17
1
PW_BS000113
118
1
17
1
PW_BS000118
336
1
12
1
PW_BS000028
109
32
3
PW_BS000109
406
3
5
1
PW_BS000115
407
2
5
1
PW_BS000115
122
5
5
1
PW_BS000122
409
11
5
PW_BS000115
424
1
1
5
5
PW_BS000115
425
1
3
5
5
PW_BS000115
418
24
5
1
PW_BS000115
384
12
5
1
PW_BS000100
125
13
5
1
PW_BS000125
120
3
17
1
PW_BS000120
135
5
17
1
PW_BS000135
137
11
17
PW_BS000137
459
1
1
17
5
PW_BS000115
460
1
3
17
5
PW_BS000115
454
24
17
1
PW_BS000115
121
12
17
1
PW_BS000121
136
13
17
1
PW_BS000136
479
3
10
1
PW_BS000115
481
2
10
1
PW_BS000115
483
11
10
PW_BS000115
297
5
10
1
PW_BS000024
299
1
10
1
PW_BS000024
495
7
10
1
PW_BS000115
489
24
10
1
PW_BS000115
480
12
10
1
PW_BS000115
300
13
10
1
PW_BS000024
501
3
6
1
PW_BS000115
208
11
6
PW_BS000024
506
24
6
1
PW_BS000115
391
12
6
1
PW_BS000112
395
13
6
1
PW_BS000113
882
31
202
PW_BS000552
883
1
202
1
PW_BS000552
167
31
1
PW_BS000167
168
32
1
PW_BS000168
14
10
1
PW_BS000014
788
24
11
1
3
PW_BS000524
597
24
1
12
PW_BS000336
185
3
2
1
PW_BS000024
95
1
7
2
1
PW_BS000095
1
1
PW_BS000001
13
1
2
1
PW_BS000013
20
4
1
1
1
PW_BS000020
5
4
1
1
PW_BS000005
43
25
1
1
PW_BS000043
190
11
18
PW_BS000024
198
5
18
1
PW_BS000024
277
1
2
18
PW_BS000024
290
5
49
1
PW_BS000024
333
1
2
12
PW_BS000028
129
1
5
12
1
PW_BS000129
341
4
1
12
1
PW_BS000028
356
25
12
1
PW_BS000028
334
4
12
1
PW_BS000028
412
1
2
5
PW_BS000115
414
1
5
5
1
PW_BS000115
419
25
5
1
PW_BS000115
408
4
5
1
PW_BS000115
446
1
2
17
PW_BS000115
450
1
5
17
1
PW_BS000115
455
25
17
1
PW_BS000115
374
4
17
1
PW_BS000053
490
25
10
1
PW_BS000115
482
4
10
1
PW_BS000115
507
25
6
1
PW_BS000115
502
4
6
1
PW_BS000115
9
6
1
1
PW_BS000009
28
1
16
1
1
PW_BS000028
33
18
1
1
PW_BS000033
24
4
10
1
1
PW_BS000024
60
25
1
PW_BS000060
46
1
1
4
PW_BS000046
29
1
1
1
PW_BS000029
72
5
1
3
PW_BS000072
61
25
1
7
PW_BS000061
36
1
20
1
1
PW_BS000036
37
7
21
1
3
PW_BS000037
93
25
20
1
1
PW_BS000093
27
15
1
PW_BS000027
7
1
1
PW_BS000007
97
1
5
2
1
PW_BS000097
113
6
12
1
PW_BS000113
110
2
3
1
PW_BS000110
123
1
7
5
1
PW_BS000123
126
6
5
1
PW_BS000126
127
1
16
5
1
PW_BS000127
6
1
3
1
PW_BS000006
140
10
3
PW_BS000140
143
1
5
19
1
PW_BS000143
146
5
19
1
PW_BS000146
180
2
21
1
PW_BS000180
207
6
6
1
PW_BS000024
211
10
18
PW_BS000024
214
25
18
1
PW_BS000024
215
6
18
1
PW_BS000024
216
4
18
1
PW_BS000024
65
11
1
PW_BS000065
291
6
49
1
PW_BS000024
292
4
49
1
PW_BS000024
298
1
7
10
1
PW_BS000024
301
6
10
1
PW_BS000024
302
1
16
10
1
PW_BS000024
253
5
4
1
PW_BS000024
332
1
7
12
1
PW_BS000028
115
10
12
PW_BS000115
337
1
16
12
1
PW_BS000028
343
18
12
1
PW_BS000028
329
14
12
1
PW_BS000028
352
25
12
PW_BS000028
353
25
12
7
PW_BS000028
360
4
10
12
1
PW_BS000028
370
2
60
1
PW_BS000028
228
36
1
PW_BS000024
232
40
3
PW_BS000024
405
10
5
PW_BS000115
415
18
5
1
PW_BS000115
429
1
5
1
PW_BS000115
434
4
10
5
1
PW_BS000115
382
14
5
1
PW_BS000100
436
25
5
PW_BS000115
443
6
17
1
PW_BS000115
376
10
17
PW_BS000053
447
1
7
17
1
PW_BS000115
448
1
16
17
1
PW_BS000115
451
18
17
1
PW_BS000115
464
1
17
1
PW_BS000115
469
4
10
17
1
PW_BS000115
399
14
17
1
PW_BS000113
471
25
17
PW_BS000115
472
25
17
7
PW_BS000115
478
10
10
PW_BS000115
487
18
10
1
PW_BS000115
484
14
10
1
PW_BS000115
209
10
6
PW_BS000024
504
18
6
1
PW_BS000115
515
4
10
6
1
PW_BS000115
389
14
6
1
PW_BS000112
513
1
7
6
1
PW_BS000115
790
6
11
1
PW_BS000524
834
6
1
1
1
PW_BS000549
40034
Hydrogen Ion
HMDB0059597
Hydrogen ion is recommended by IUPAC as a general term for all ions of hydrogen and its isotopes. Depending on the charge of the ion, two different classes can be distinguished: positively charged ions and negatively charged ions. Under aqueous conditions found in biochemistry, hydrogen ions exist as the hydrated form hydronium, H3O+, but these are often still referred to as hydrogen ions or even protons by biochemists. [WikiPedia])
C00080
1038
15378
1010
[H+]
H
InChI=1S/p+1
GPRLSGONYQIRFK-UHFFFAOYSA-N
1.0079
1.007825032
H+;H(+);Hydrogen cation;Hydron;Proton
PW_C040034
H+
215
4
670
8
753
15
788
31
848
3
1116
2
1463
26
1464
54
2231
49
2780
17
4250
22
4254
42
4547
10
4576
18
4694
70
5241
103
5327
111
5353
112
5626
108
5639
107
5699
100
5720
105
5742
117
5963
147
6037
155
6070
157
6093
161
6130
159
6232
166
6483
178
6601
152
6692
101
6843
188
6910
187
7100
163
7168
205
7191
206
7453
219
7454
220
7472
222
7525
213
7532
210
7558
212
7572
160
7590
170
8195
225
8218
151
8243
226
8413
162
8420
224
9139
195
9155
249
11915
164
12015
281
12181
285
12246
286
12266
287
12521
227
13257
223
13325
294
15330
308
42329
315
42354
318
42401
322
42405
312
42454
320
76912
293
77136
133
77210
134
77372
331
77804
114
77955
132
77990
327
77991
347
78379
345
79929
130
80019
368
80387
310
80388
304
80722
119
93823
124
94823
383
110550
388
112855
94
113280
390
115537
398
115539
118
115856
336
116205
109
119973
406
120193
407
120549
122
120593
409
121170
424
121171
425
122569
418
122615
384
122687
125
122758
120
123183
135
123218
137
123742
459
123743
460
125141
454
125188
121
125273
136
125359
479
125550
481
125730
483
125736
297
125809
299
126517
495
126717
489
126766
480
126823
300
126902
501
127213
208
128308
506
128361
391
128430
395
140692
882
140693
883
140699
167
140707
168
140715
14
140742
788
140743
597
140760
185
22608
Ammonium
HMDB0041827
Ammonium is an important source of nitrogen for many plant species, especially those growing on hypoxic soils. However, it is also toxic to most crop species and is rarely applied as a sole nitrogen source. The ammonium (more obscurely: aminium) cation is a positively charged polyatomic cation with the chemical formula NH4+. It is formed by the protonation of ammonia (NH3). Ammonium is also a general name for positively charged or protonated substituted amines and quaternary ammonium cations (NR4+), where one or more hydrogen atoms are replaced by organic radical groups (indicated by R).
14798-03-9
C01342
16741146
28938
218
[NH4+]
H4N
InChI=1S/H3N/h1H3/p+1
QGZKDVFQNNGYKY-UHFFFAOYSA-O
18.0385
18.034374133
Ammonium ion;Ammonia ion;Ammonium;Ammonium chloride;Ammonium(1+);Azanium;Nh4+;[nh4]+;[nh4](+);Nh4(+)
PW_C022608
Ammon
5751
108
5892
95
5969
100
6226
166
8273
151
8367
225
11909
170
12470
249
42627
315
116281
109
1316
Carbon dioxide
HMDB0001967
Carbon dioxide is a colorless, odorless gas that can be formed by the body and is necessary for the respiration cycle of plants and animals. Carbon dioxide is produced during respiration by all animals, fungi and microorganisms that depend on living and decaying plants for food, either directly or indirectly. It is, therefore, a major component of the carbon cycle. Additionally, carbon dioxide is used by plants during photosynthesis to make sugars which may either be consumed again in respiration or used as the raw material to produce polysaccharides such as starch and cellulose, proteins and the wide variety of other organic compounds required for plant growth and development. When inhaled at concentrations much higher than usual atmospheric levels, it can produce a sour taste in the mouth and a stinging sensation in the nose and throat. These effects result from the gas dissolving in the mucous membranes and saliva, forming a weak solution of carbonic acid. Carbon dioxide is used by the food industry, the oil industry, and the chemical industry. Carbon dioxide is used to produce carbonated soft drinks and soda water. Traditionally, the carbonation in beer and sparkling wine comes about through natural fermentation, but some manufacturers carbonate these drinks artificially.
124-38-9
C00011
280
16526
274
O=C=O
CO2
InChI=1S/CO2/c2-1-3
CURLTUGMZLYLDI-UHFFFAOYSA-N
44.0095
43.989829244
DBMET00423
FDB014084
Carbon oxide;Carbon-12 dioxide;Carbonic acid anhydride;Carbonic acid gas;Carbonic anhydride;[co2];Co2;E 290;E-290;E290;R-744
PW_C001316
CO2
50
8
121
1
204
4
480
13
503
18
640
3
677
31
695
20
806
5
1133
43
1638
49
1745
2
2551
17
3144
70
5283
103
5320
111
5750
108
5771
101
5968
100
6026
155
6078
161
6471
178
6637
107
6922
190
7017
160
7035
163
7061
188
7163
205
7308
198
7333
213
7461
222
7530
210
8215
225
8223
151
9158
249
11849
277
11908
170
12464
226
12688
290
42626
315
43523
318
76994
293
77122
133
77170
132
77470
333
77739
112
77750
129
77763
341
78077
134
78405
356
78427
334
78941
331
79227
130
80008
368
80675
119
80717
135
94836
384
113291
391
115549
121
119954
406
120089
122
120155
407
120364
412
120556
414
120833
419
120922
124
120991
408
121284
125
121505
383
122744
120
123011
446
123190
450
123418
455
123489
118
123556
374
123855
136
124063
398
125344
479
125460
297
125516
481
125824
490
125870
299
125931
482
126280
480
126887
501
127052
206
127277
507
127331
388
127390
502
140798
185
1420
Water
HMDB0002111
Water is a chemical substance that is essential to all known forms of life. It appears colorless to the naked eye in small quantities, though it is actually slightly blue in color. It covers 71% of Earth's surface. Current estimates suggest that there are 1.4 billion cubic kilometers (330 million m3) of it available on Earth, and it exists in many forms. It appears mostly in the oceans (saltwater) and polar ice caps, but it is also present as clouds, rain water, rivers, freshwater aquifers, lakes, and sea ice. Water in these bodies perpetually moves through a cycle of evaporation, precipitation, and runoff to the sea. Clean water is essential to human life. In many parts of the world, it is in short supply. From a biological standpoint, water has many distinct properties that are critical for the proliferation of life that set it apart from other substances. It carries out this role by allowing organic compounds to react in ways that ultimately allow replication. All known forms of life depend on water. Water is vital both as a solvent in which many of the body's solutes dissolve and as an essential part of many metabolic processes within the body. Metabolism is the sum total of anabolism and catabolism. In anabolism, water is removed from molecules (through energy requiring enzymatic chemical reactions) in order to grow larger molecules (e.g. starches, triglycerides and proteins for storage of fuels and information). In catabolism, water is used to break bonds in order to generate smaller molecules (e.g. glucose, fatty acids and amino acids to be used for fuels for energy use or other purposes). Water is thus essential and central to these metabolic processes. Water is also central to photosynthesis and respiration. Photosynthetic cells use the sun's energy to split off water's hydrogen from oxygen. Hydrogen is combined with CO2 (absorbed from air or water) to form glucose and release oxygen. All living cells use such fuels and oxidize the hydrogen and carbon to capture the sun's energy and reform water and CO2 in the process (cellular respiration). Water is also central to acid-base neutrality and enzyme function. An acid, a hydrogen ion (H+, that is, a proton) donor, can be neutralized by a base, a proton acceptor such as hydroxide ion (OH-) to form water. Water is considered to be neutral, with a pH (the negative log of the hydrogen ion concentration) of 7. Acids have pH values less than 7 while bases have values greater than 7. Stomach acid (HCl) is useful to digestion. However, its corrosive effect on the esophagus during reflux can temporarily be neutralized by ingestion of a base such as aluminum hydroxide to produce the neutral molecules water and the salt aluminum chloride. Human biochemistry that involves enzymes usually performs optimally around a biologically neutral pH of 7.4. (Wikipedia).
7732-18-5
C00001
962
15377
937
O
H2O
InChI=1S/H2O/h1H2
XLYOFNOQVPJJNP-UHFFFAOYSA-N
18.0153
18.010564686
FDB013390
Dihydrogen oxide;Steam;[oh2];Acqua;Agua;Aqua;Bound water;Dihydridooxygen;Eau;H2o;Hoh;Hydrogen hydroxide;Wasser
PW_C001420
H2O
55
8
94
9
109
5
139
4
151
3
162
14
481
13
526
15
624
28
652
10
691
20
770
33
823
18
838
2
1094
31
1377
49
1465
54
1590
43
2018
24
2532
22
2678
60
2727
46
2778
17
2805
29
3143
70
3164
72
3634
61
4598
36
4727
37
4941
93
5030
27
5156
7
5195
97
5214
100
5227
94
5236
103
5297
105
5319
111
5343
113
5355
112
5402
110
5470
123
5483
125
5492
126
5507
127
5534
130
5537
114
5541
129
5591
135
5608
118
5622
108
5691
6
5759
140
5778
101
5841
143
5853
146
5877
107
5890
95
5910
147
5940
151
6032
155
6059
157
6087
161
6123
163
6133
159
6215
1
6218
166
6477
178
6507
180
6600
152
6713
117
6840
188
6888
160
7162
205
7181
207
7193
206
7211
211
7228
213
7238
214
7243
215
7295
198
7350
216
7388
210
7401
212
7467
222
7492
224
7500
190
7588
170
8201
225
8237
226
8414
162
9265
26
11850
277
11922
164
12011
281
12213
285
12250
286
12264
287
12327
249
12520
227
12632
65
12693
290
12705
291
12715
292
13007
298
13019
300
13025
301
13037
302
13261
223
13327
294
15340
308
42327
315
42695
318
43691
322
76914
293
77019
253
77102
132
77131
133
77215
134
77378
331
77397
332
77471
333
77516
115
77536
334
77628
336
77722
337
77759
341
77816
343
77982
347
78071
329
78235
352
78242
353
78270
356
79113
360
80014
368
80039
370
80591
228
80656
119
93830
383
94794
384
110557
390
110639
391
115844
398
119879
232
119915
122
119963
406
120008
407
120046
408
120113
124
120365
412
120430
405
120438
409
120606
415
120794
414
121158
425
121240
429
121351
121
121381
419
121607
434
122118
382
122384
436
122753
120
122797
374
122804
443
123012
446
123064
376
123072
137
123131
447
123142
136
123162
448
123231
451
123384
450
123730
460
123810
464
123940
455
124165
469
124670
399
124938
471
124945
472
125305
297
125353
479
125386
481
125424
482
125480
299
125682
483
125707
478
125745
487
126054
490
126238
495
126273
484
126764
480
126896
501
126963
502
127017
388
127177
208
127199
209
127227
504
127506
507
127576
515
127836
389
128082
395
128176
513
140674
790
140675
834
140755
185
463
Hydrogen carbonate
HMDB0000595
Bicarbonate, or hydrogen carbonate, is a simple single carbon molecule that plays surprisingly important roles in diverse biological processes. Among these are photosynthesis, the Krebs cycle, whole-body and cellular pH regulation, and volume regulation. Since bicarbonate is charged it is not permeable to lipid bilayers. Mammalian membranes thus contain bicarbonate transport proteins to facilitate the specific transmembrane movement of HCO3(-). Bicarbonate ion is an anion that consists of one central carbon atom surrounded by three oxygen atoms in a trigonal planar arrangement, with a hydrogen atom attached to one of the oxygens. The bicarbonate ion carries a negative one formal charge and is the conjugate base of carbonic acid, H2CO3. The carbonate radical is an elusive and strong one-electron oxidant. Bicarbonate in equilibrium with carbon dioxide constitutes the main physiological buffer. The bicarbonate-carbon dioxide pair stimulates the oxidation, peroxidation and nitration of several biological targets. The demonstration that the carbonate radical existed as an independent species in aqueous solutions at physiological pH and temperature renewed the interest in the pathophysiological roles of this radical and related species. The carbonate radical has been proposed to be a key mediator of the oxidative damage resulting from peroxynitrite production, xanthine oxidase turnover and superoxide dismutase1 peroxidase activity. The carbonate radical has also been proposed to be responsible for the stimulatory effects of the bicarbonate-carbon dioxide pair on oxidations mediated by hydrogen peroxide/transition metal ions. The ultimate precursor of the carbonate radical anion being bicarbonate, carbon dioxide, peroxymonocarbonate or complexes of transition metal ions with bicarbonate-derived species remains a matter of debate. The carbonate radical mediates some of the pathogenic effects of peroxynitrite. The carbonate radical as the oxidant produced from superoxide dismutase (EC 1.15.1.1, SOD1) peroxidase activity. Peroxymonocarbonate is a biological oxidant, whose existence is in equilibrium with hydrogen peroxide and bicarbonate. (PMID: 17505962, 17215880).
71-52-3
C00288
769
17544
HCO3
749
OC(O)=O
CH2O3
InChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)
BVKZGUZCCUSVTD-UHFFFAOYSA-N
62.0248
62.00039393
FDB022134
Bicarbonate;Bicarbonate (hco3-);Bicarbonate anion;Bicarbonate ion;Bicarbonate ion (hco31-);Bicarbonate ions;Carbonate;Carbonate (hco31-);Carbonate ion (hco31-);Carbonic acid;Hydrocarbonate(1-);Hydrogen carbonate;Hydrogen carbonate (hco3-);Hydrogen carbonate anion;Hydrogen carbonate ion;Hydrogen carbonate ion (hco3-);Hydrogencarbonate;Hydrogentrioxocarbonate;Monohydrogen carbonate;[co2(oh)](-);Acid carbonate;Hco3(-);Hydrogen carbonic acid;Acid carbonic acid;Bicarbonic acid;Bicarbonic acid ion
PW_C000463
HCO3
22
4
1687
8
2393
3
2397
2
2613
15
3145
70
5391
103
5445
120
5571
133
6049
155
6110
161
6494
178
7482
222
9092
224
77959
112
78630
132
78762
111
80029
368
119993
406
121209
407
121436
122
121557
124
123779
119
123994
135
124115
118
125372
479
126059
297
126360
299
126541
481
126914
501
127511
205
127922
388
128114
206
1396
Cyanate
HMDB0002078
The cyanate ion is an anion consisting of one oxygen atom, one carbon atom, and one nitrogen atom, [OCN], in that order. The cyanate ion possesses 1 unit of negative charge, borne mainly by the nitrogen atom. In organic compounds the cyanate group is a functional group. The cyanate ion is an ambident nucleophile in nucleophilic substitution because it can react to form an alkyl cyanate R-OCN (exception) or an alkyl isocyanate R-NCO (rule). Aryl cyanates (C6H5OCN) can be formed by a reaction of phenol with cyanogen chloride (ClCN) in the presence of a base. The cyanate ion is relatively non-toxic in comparison with cyanides. Use of this fact is made in cyanide decontamination processes where a permanganate oxidation converts toxic cyanide to safer cyanate. Cyanate can be decomposed by the enzyme cyanate lyase (or cyanase), which is found in bacteria and plants. In particular cyanate can be decomposed to carbamate (ammonia) and carbon dioxide. Alternately the same enzyme can be used to synthesize cyanate using carbamate and carbon dioxide.
71000-82-3
C01417
105034
29195
94771
OC#N
CHNO
InChI=1S/CHNO/c2-1-3/h3H
XLJMAIOERFSOGZ-UHFFFAOYSA-N
43.0247
43.005813659
FDB022835
Cyanic acid;[c(n)o](-);Cyanat;Cyanate ion;Ocn(-);Zyanat;Cyanic acid ion
PW_C001396
Cyanate
6809
107
6810
108
43764
318
43765
315
1922
Carbamic acid
HMDB0003551
Carbamic acid is occasionally found as carbamate in workers exposed to pesticides. Carbamates, particularly carbofuran, seem to be more associated with exuberant and diversified symptomatology of pesticide exposure than organophosphates. Neurological symptoms occur among farmers occupationally exposed to acetylcholinesterase-inhibiting insecticides such as carbamates. Carbamic acid products of several amines, such as beta-N-methylamino-L-alanine (BMAA), ethylenediamine, and L-cysteine have been implicated in toxicity. Studies suggested that a significant portion of amino-compounds in biological samples (that naturally contain CO2/bicarbonate) can be present as a carbamic acid. The formation of carbamate glucuronide metabolites has been described for numerous pharmaceuticals and they have been identified in all of the species commonly used in drug metabolism studies (rat, dog, mouse, rabbit, guinea pig, and human). There has been no obvious species specificity for their formation and no preference for 1 or 2 degree amines. Many biological reactions have also been described in the literature that involve the reaction of CO2 with amino groups of biomolecules. For example, CO2 generated from cellular respiration is expired in part through the reversible formation of a carbamate between CO2 and the -amino groups of the alpha and beta-chains of hemoglobin. Glucuronidation is an important mechanism used by mammalian systems to clear and eliminate both endogenous and foreign chemicals. Many functional groups are susceptible to conjugation with glucuronic acid, including hydroxyls, phenols, carboxyls, activated carbons, thiols, amines, and selenium. Primary and secondary amines can also react with carbon dioxide (CO2) via a reversible reaction to form a carbamic acid. The carbamic acid is also a substrate for glucuronidation and results in a stable carbamate glucuronide metabolite. The detection and characterization of these products has been facilitated greatly by the advent of soft ionization mass spectrometry techniques and high field NMR instrumentation. (PMID: 16268118, 17168688, 12929145).
463-77-4
C01563
277
28616
271
DB04261
NC(O)=O
CH3NO2
InChI=1S/CH3NO2/c2-1(3)4/h2H2,(H,3,4)
KXDHJXZQYSOELW-UHFFFAOYSA-N
61.04
61.016378345
FDB023195
Aminoformate;Aminoformic acid;Carbamate;Carbamate ion;Chlorphenesin carbamate;Maolate;Aminoameisensaeure;Carbamidsaeure
PW_C001922
Maolate
6668
Carbonic anhydrase 2
P61517
Involved in carbonate dehydratase activity. H(2)CO(3) = CO(2) + H(2)O.
can
b0126
AP009048
3
4.2.1.1
6173
Carbonic anhydrase 1
P0ABE9
Involved in carbonate dehydratase activity. Reversible hydration of carbon dioxide. Carbon dioxide formed in the bicarbonate-dependent decomposition of cyanate by cyanase (cynS) diffuses out of the cell faster than it would be hydrated to bicarbonate, so the apparent function of this enzyme is to catalyze the hydration of carbon dioxide and thus prevent depletion of cellular bicarbonate.
cynT
b0339
AP009048
3
4.2.1.1
7431
Cyanate transport protein cynX
P17583
Involved in transporter activity. This protein is part of an active transport system that transports exogenous cyanate into E.coli cells.
cynX
b0341
AP009048
3
8912
109
5834
Cyanate hydratase
P00816
Involved in cyanate hydratase activity. Catalyzes the reaction of cyanate with bicarbonate to produce ammonia and carbon dioxide.
cynS
b0340
AP009048
3
4.2.1.104
115698
94
1171
carbonic anhydrase
3
PW_P001171
1354
6668
1355
6173
4091
cyanate transporter
3
PW_P004091
11107
7431
1173
CYANATE HYDRATASE
3
PW_P001173
1357
5834
5907
PW_R005907
Right
24093
1922
1
Compound
false
24094
40034
2
Compound
false
24095
22608
1
Compound
false
24096
1316
1
Compound
false
6123
false
PW_R006123
Right
25058
463
1
Compound
false
25059
1396
1
Compound
false
25060
40034
1
Compound
false
25061
1316
1
Compound
false
25062
1922
1
Compound
false
6084
1173
6122
false
PW_R006122
Right
25054
1316
1
Compound
true
25055
1420
1
Compound
true
25056
40034
1
Compound
true
25057
463
1
Compound
true
6083
1171
512
PW_T000512
651
1396
1
Compound
107
108
Right
441
4091
2015-10-14T10:03:01-06:00
2015-10-14T10:03:01-06:00
109
71646
40034
55
false
1301
502
10
regular
78
78
71647
22608
3
false
1281
676
10
regular
100
100
71648
1316
52
false
1426
777
10
regular
78
78
71649
1420
49
false
1313
902
10
regular
78
78
71650
40034
55
false
998
290
10
regular
78
78
71651
463
47
false
996
590
10
regular
78
78
71662
1396
107
3
false
196
401
10
regular
100
100
71663
1396
108
3
false
736
401
10
regular
100
100
2679361
1316
52
false
1311
289
10
regular
78
78
2679362
1922
3
false
1410
402
10
regular
100
100
2680175
40034
55
false
923
775
10
regular
78
78
32826
6668
2
false
1126
830
8
subunit
regular
150
70
32827
6173
2
false
1126
780
8
subunit
regular
150
70
32831
7431
109
76
false
351
416
8
subunit
regular
150
70
948824
5834
2
false
1125
414
8
subunit
regular
150
70
27563
1171
1857
32507
32826
32508
32827
27567
4091
1857
32512
32831
803494
1173
1857
944671
948824
101718
M296 451 C328 451 330 451 351 451
83
false
18
101719
M736 451 C693 451 538 451 501 451
83
false
18
true
M 25.946855044164835 13.26155629629604 L 11 12 L 17.380887721185843 25.575134323078345
false
3660847
M1460 502 C1460 532 727.5 641 727.5 671
5
true
18
3660848
M1379 541 C1404 544 1466 577 1462 635
5
false
18
3660849
M1381 726 C1413 726 1460 689 1462 633
5
false
18
true
M 25.946855044164835 290.261556296296 L 11 289 L 17.380887721185843 302.5751343230783
false
3660850
M1465 777 C1465 734 1460 558 1460 502
5
false
18
true
M 25.946855044164835 290.261556296296 L 11 289 L 17.380887721185843 302.5751343230783
false
3662277
M1035 590 C1034 566 1074 454 1125 449
5
false
18
3662278
M836 451 C866 451 1078 449 1125 449
5
false
18
3662279
M1037 368 C1037 392 1073 450 1125 449
5
false
18
3662280
M1350 367 C1348 405 1305 452 1275 452
5
false
18
true
M 25.946855044164835 13.26155629629604 L 11 12 L 17.380887721185843 25.575134323078345
false
3662281
M1410 452 C1380 452 1305 452 1275 452
5
false
18
true
M 25.946855044164835 13.26155629629604 L 11 12 L 17.380887721185843 25.575134323078345
false
3662282
M1426 816 C1370 815 1320 816 1276 815
5
false
18
3662283
M1352 902 C1350 873 1313 816 1276 815
5
false
18
3662284
M1001 814 C1037 814 1087 815 1126 815
5
false
18
true
M 458.94685504416486 13.26155629629604 L 444 12 L 450.38088772118584 25.575134323078345
false
3662285
M1035 668 C1035 727 1085 815 1126 815
5
false
18
true
M 458.94685504416486 13.26155629629604 L 444 12 L 450.38088772118584 25.575134323078345
false
797705
1857
5907
3224108
2679362
3660847
Left
3224109
71646
3660848
Left
3224110
71647
3660849
Right
3224111
71648
3660850
Right
797952
1857
6123
3225068
71651
3662277
Left
3225069
71663
3662278
Left
3225070
71650
3662279
Left
3225071
2679361
3662280
Right
3225072
2679362
3662281
Right
753543
6084
803494
797953
1857
6122
3225073
71648
3662282
Left
3225074
71649
3662283
Left
3225075
2680175
3662284
Right
3225076
71651
3662285
Right
753544
6083
27563
966
512
1857
2363
71662
101718
Left
2364
71663
101719
Right
718
27567
441
186487
486
536
0.8
0.8
0
2
92
479
481
3621
M432 328 C432 278 482 228 532 228 C818 228 1191 228 1477 228 C1527 228 1577 278 1577 328 C1577 511 1577 750 1577 933 C1577 983 1527 1033 1477 1033 C1191 1033 818 1033 532 1033 C482 1033 432 983 432 933 C432 750 432 511 432 328
1
true
6
1145.0
805.0
3622
M125 225 C125 175 175 125 225 125 C634 125 1167 125 1576 125 C1626 125 1676 175 1676 225 C1676 471 1676 792 1676 1038 C1676 1088 1626 1138 1576 1138 C1167 1138 634 1138 225 1138 C175 1138 125 1088 125 1038 C125 792 125 471 125 225
1
true
6
1551.0
1013.0