6022
PubChem-compound
1.0
C23H38N7O17P3S
Acetyl-CoA
809.1258
937
ChemSpider
Palmitic acid
439153
PubChem-compound
1.0
1.0
NAD
ATP
BioCyc
trans dodec-2-enoyl-[acp]
(R)-3-hydroxybutanoyl-[acp]
1.0
HCO3
BioCyc
hexanoyl-[acyl-carrier-protein]
5742
ChemSpider
3-oxoacyl-[acyl-carrier-protein] synthase 1
Octanoyl-[acyl-carrier protein]
CHEBI:16474
ChEBI
myristoyl-[acp]
(R)-3-hydroxydodecanoyl-[acp]
trans tetradec-2-enoyl-[acp]
Acetyl-CoA
(3R)-3-hydroxymyristoyl-[acp]
palmitoyl-[acp]
trans hexadecenoyl-[acp]
trans oct-2-enoyl-[acp]
1010
ChemSpider
trans hex-2-enoyl-[acp]
Enoyl-[acyl-carrier-protein] reductase [NADH]
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS
3-oxoacyl-[acyl-carrier-protein] reductase
1.0
SMP0000793
SMPDB
1.0
Hydrogen Ion
3-oxoacyl-[acyl-carrier-protein] synthase 3
Cytosol
Adenosine triphosphate
1.0
C00009
KEGG Compound
C00008
KEGG Compound
C00249
KEGG Compound
C00006
KEGG Compound
CHEBI:18009
ChEBI
C00001
KEGG Compound
Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta
C00005
KEGG Compound
CHEBI:18367
ChEBI
C00004
KEGG Compound
1032
ChemSpider
C00003
KEGG Compound
C00002
KEGG Compound
Outer membrane protein A
Glycolysis and Pyruvate Dehydrogenase
SubPathway
C02679
KEGG Compound
C21H28N7O14P2
NAD
664.11694
C00011
KEGG Compound
Malonyl CoA-acyl carrier protein transacylase
C00010
KEGG Compound
HMDB0000902
HMDB
1.0
Extracellular Space
NAD(P)
BioCyc
1.0
562
TAXONOMY
H
Hydrogen Ion
1.007825
Palmitate Biosynthesis
1.0
56-65-5
CAS
53-84-9
CAS
C00024
KEGG Compound
SMILES
CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)=O
1.0
1.0
2.0
769
PubChem-compound
3-oxo-decanoyl-[acp]
SMP0000807
SMPDB
(R)-3-hydroxypalmitoyl-[acp]
SMILES
NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
Water
Biotin carboxyl carrier protein of acetyl-CoA carboxylase
Acetyl-coenzyme A carboxylase carboxyl transferase subunit alpha
P0A6Q6
UniProt
HMDB0001341
HMDB
3-oxo-palmitoyl-[acp]
4.0
3-oxo-octanoyl-[acp]
1.0
SMP0000818
SMPDB
3-oxo-dodecanoyl-[acp]
3-oxo-myristoyl-[acp]
C00288
KEGG Compound
3-oxo-hexanoyl-[acp]
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
P0A6R0
UniProt
2.3.1.39
false
2.3.1.39
Malonyl-CoA + a holo-[acyl-carrier protein] → Coenzyme A + a malonyl-[acp]
LEFT_TO_RIGHT
2.0
P24182
UniProt
7732-18-5
CAS
P0AAI9
UniProt
HMDB0001487
HMDB
Biotin carboxylase
57-10-3
CAS
C10H16N5O13P3
Adenosine triphosphate
506.99576
Transport10418
false
Palmitic acid (→) Transport: Escherichia coli, Extracellular Space to Escherichia coli, Cell, Cytosol
LEFT_TO_RIGHT
(R)-3-hydroxyhexanoyl-[acp]
1.0
1.0
KASI
3-hydroxy-acyl-[acyl-carrier-protein] dehydratase
(R)-3-hydroxyoctanoyl-[acp]
enoyl-[acyl-carrier-protein] reductase(NAD)
962
PubChem-compound
butyryl-[acp]
SubPathwayInteraction109647
SubPathwayReaction
SubPathway109647Reaction
5800
ChemSpider
143-07-7
CAS
SubPathwayInteraction109648
SubPathwayReaction
SubPathway109648Reaction
P0AEK2
UniProt
P0AEK4
UniProt
CO2
Carbon dioxide
43.98983
Phosphate
P0ABD5
UniProt
C00080
KEGG Compound
1.0
P0ABD8
UniProt
Periplasmic Space
Dodecanoic acid
C00083
KEGG Compound
(3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase
1.0
Transport437
false
Palmitic acid (→) Transport: Escherichia coli, Extracellular Space to Escherichia coli, Periplasmic Space
LEFT_TO_RIGHT
1.0
HMDB0002111
HMDB
14265-44-2
CAS
58-64-0
CAS
crotonyl-[acp]
decanoyl-[acp]
dodecanoyl-[acp]
3-oxoacyl-[acyl-carrier-protein] synthase 1
960
ChemSpider
985
PubChem-compound
444493
PubChem-compound
a trans-Δ2-decenoyl-[acp]
10663
PubChem-compound
22833512
PubChem-compound
ACETYL-COA
BioCyc
H2O
Water
18.010565
1.0
NADH
BioCyc
NAD
BioCyc
3756
ChemSpider
Transport461
false
Palmitic acid (→) Transport: Escherichia coli, Periplasmic Space to Escherichia coli, Cytosol
LEFT_TO_RIGHT
1.0
HMDB0059597
HMDB
Carbon dioxide
749
ChemSpider
3-oxoacyl-[acyl-carrier-protein] synthase 3
acetoacetyl-[acp]
71-52-3
CAS
an (R)-3-hydroxydecanoyl-[acp]
P0A953
UniProt
Hydrogen carbonate
CHO3
Hydrogen carbonate
60.99257
HMDB0001175
HMDB
3-oxoacyl-[acyl-carrier-protein] reductase
Enoyl-[acyl-carrier-protein] reductase [NADH]
17215925
ChemSpider
1.0
ReactionCatalysis2776
ACTIVATION
NADH
ReactionCatalysis2775
ACTIVATION
ReactionCatalysis2778
ACTIVATION
ReactionCatalysis2777
ACTIVATION
Acetyl-coenzyme A carboxylase carboxyl transferase subunit beta
1.0
SMILES
O
ReactionCatalysis2770
ACTIVATION
Palmitic acid
Acetyl-CoA
SubPathwayOutput
ReactionCatalysis2772
ACTIVATION
ReactionCatalysis2771
ACTIVATION
ReactionCatalysis2774
ACTIVATION
ReactionCatalysis2773
ACTIVATION
Outer membrane protein A
HMDB0000538
HMDB
1.0
Malonyl CoA-acyl carrier protein transacylase
6816
PubChem-compound
SMILES
OC([O-])=O
CHEBI:15846
ChEBI
1.0
ReactionCatalysis2781
ACTIVATION
ADP
BioCyc
ReactionCatalysis2780
ACTIVATION
ReactionCatalysis2783
ACTIVATION
ReactionCatalysis2782
ACTIVATION
1.1.1.100
false
1.1.1.100
3-oxo-dodecanoyl-[acp] + Hydrogen Ion + NADPH → (R)-3-hydroxydodecanoyl-[acp] + NADP
LEFT_TO_RIGHT
1.3.1.9
false
1.3.1.9
Hydrogen Ion + NADH + a trans-Δ2-decenoyl-[acp] → NAD + decanoyl-[acp]
LEFT_TO_RIGHT
2.3.1.41
false
2.3.1.41
a malonyl-[acp] + decanoyl-[acp] → 3-oxo-dodecanoyl-[acp] + Carbon dioxide + a holo-[acyl-carrier protein]
LEFT_TO_RIGHT
53-59-8
CAS
1.1.1.100
false
1.1.1.100
3-oxo-decanoyl-[acp] + Hydrogen Ion + NADPH → NADP + an (R)-3-hydroxydecanoyl-[acp]
LEFT_TO_RIGHT
4.2.1.59
false
4.2.1.59
an (R)-3-hydroxydecanoyl-[acp] → Water + a trans-Δ2-decenoyl-[acp]
LEFT_TO_RIGHT
1.0
1.3.1.9
false
1.3.1.9
trans oct-2-enoyl-[acp] + Hydrogen Ion + NADH → NAD + Octanoyl-[acyl-carrier protein]
LEFT_TO_RIGHT
2.3.1.41
false
2.3.1.41
Hydrogen Ion + Octanoyl-[acyl-carrier protein] + a malonyl-[acp] → 3-oxo-decanoyl-[acp] + Carbon dioxide + a holo-[acyl-carrier protein]
LEFT_TO_RIGHT
TransportCatalysis1585
ACTIVATION
1.0
1038
PubChem-compound
1.0
GO:0005829
GENE ONTOLOGY
1.0
274
ChemSpider
1.1.1.100
false
1.1.1.100
3-oxo-octanoyl-[acp] + Hydrogen Ion + NADPH → (R)-3-hydroxyoctanoyl-[acp] + NADP
LEFT_TO_RIGHT
4.2.1.59
false
4.2.1.59
(R)-3-hydroxyoctanoyl-[acp] → trans oct-2-enoyl-[acp] + Water
LEFT_TO_RIGHT
C12H24O2
Dodecanoic acid
200.17763
P0A9Q5
UniProt
2.3.1.41
false
2.3.1.41
Hydrogen Ion + a malonyl-[acp] + hexanoyl-[acyl-carrier-protein] → 3-oxo-octanoyl-[acp] + Carbon dioxide + a holo-[acyl-carrier protein]
LEFT_TO_RIGHT
CHEBI:16908
ChEBI
Octanoyl-[acyl-carrier protein]
SubPathwayInput
O4P
Phosphate
94.95342
NADPH
1.0
Palmitic acid
P0A910
UniProt
NADP
C21H30N7O17P3
NADPH
745.0911
C16H32O2
Palmitic acid
256.24023
C21H29N7O17P3
NADP
744.08325
NADPH
BioCyc
PW000785
PathWhiz
2.0
58-68-4
CAS
HMDB0001423
HMDB
SMILES
[O-]P([O-])([O-])=O
acetyl-CoA carboxylase
HMDB0000217
HMDB
SMILES
CCCCCCCCCCCC(O)=O
KASIII
Acetyl-coenzyme A carboxylase carboxyl transferase subunit alpha
124-38-9
CAS
1.3.1.9
false
1.3.1.9
trans hexadecenoyl-[acp] + Hydrogen Ion + NADH → NAD + palmitoyl-[acp]
LEFT_TO_RIGHT
Reaction2822
false
Water + palmitoyl-[acp] → Hydrogen Ion + Palmitic acid + a holo-[acyl-carrier protein]
LEFT_TO_RIGHT
4.2.1.59
false
4.2.1.59
(R)-3-hydroxypalmitoyl-[acp] → trans hexadecenoyl-[acp] + Water
LEFT_TO_RIGHT
Biotin carboxyl carrier protein of acetyl-CoA carboxylase
CHEBI:15531
ChEBI
a holo-[acyl-carrier protein]
2.3.1.41
false
2.3.1.41
myristoyl-[acp] + Hydrogen Ion + a malonyl-[acp] → 3-oxo-palmitoyl-[acp] + Carbon dioxide + a holo-[acyl-carrier protein]
LEFT_TO_RIGHT
PW000770
PathWhiz
a malonyl-[acp]
1.1.1.100
false
1.1.1.100
3-oxo-palmitoyl-[acp] + Hydrogen Ion + NADPH → (R)-3-hydroxypalmitoyl-[acp] + NADP
LEFT_TO_RIGHT
2.3.1.41
false
2.3.1.41
trans tetradec-2-enoyl-[acp] + Hydrogen Ion + NADH → myristoyl-[acp] + NAD
LEFT_TO_RIGHT
1.1.1.100
false
1.1.1.100
3-oxo-myristoyl-[acp] + Hydrogen Ion + NADPH → (3R)-3-hydroxymyristoyl-[acp] + NADP
LEFT_TO_RIGHT
4.2.1.59
false
4.2.1.59
(3R)-3-hydroxymyristoyl-[acp] → trans tetradec-2-enoyl-[acp] + Water
LEFT_TO_RIGHT
HMDB0001429
HMDB
SMILES
NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)N2C=NC3=C(N)N=CN=C23)[C@@H](O)[C@H]1O
HMDB0000221
HMDB
ReactionCatalysis2746
ACTIVATION
SMILES
NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]2O[C@@H]([C@@H](OP(O)(O)=O)[C@H]2O)N2C=NC3=C(N)N=CN=C23)[C@H](O)[C@@H]1O
SMILES
CCCCCCCCCCCCCCCC(O)=O
ReactionCatalysis2748
ACTIVATION
Reaction2812
false
Water + dodecanoyl-[acp] → Dodecanoic acid + Hydrogen Ion + a holo-[acyl-carrier protein]
LEFT_TO_RIGHT
2.3.1.41
false
2.3.1.41
Hydrogen Ion + a malonyl-[acp] + dodecanoyl-[acp] → 3-oxo-myristoyl-[acp] + Carbon dioxide + a holo-[acyl-carrier protein]
LEFT_TO_RIGHT
4.2.1.59
false
4.2.1.59
(R)-3-hydroxydodecanoyl-[acp] → Water + trans dodec-2-enoyl-[acp]
LEFT_TO_RIGHT
1.0
1.3.1.9
false
1.3.1.9
Hydrogen Ion + NADH + trans dodec-2-enoyl-[acp] → NAD + dodecanoyl-[acp]
LEFT_TO_RIGHT
HMDB0000220
HMDB
53-57-6
CAS
SMILES
O=C=O
6.0
a malonyl-[acp]
a holo-[acyl-carrier protein]
3893
PubChem-compound
HMDB0000595
HMDB
ReactionCatalysis2756
ACTIVATION
C21H29N7O14P2
NADH
665.12476
ReactionCatalysis2758
ACTIVATION
ReactionCatalysis2757
ACTIVATION
HMDB0001206
HMDB
5957
PubChem-compound
ReactionCatalysis2759
ACTIVATION
GO:0005620
GENE ONTOLOGY
CHEBI:15756
ChEBI
trans dodec-2-enoyl-[acp]
ReactionCatalysis2765
ACTIVATION
trans tetradec-2-enoyl-[acp]
Adenosine diphosphate
ReactionCatalysis2764
ACTIVATION
trans hexadecenoyl-[acp]
ReactionCatalysis2767
ACTIVATION
palmitoyl-[acp]
ReactionCatalysis2766
ACTIVATION
C10H15N5O10P2
Adenosine diphosphate
427.02942
trans oct-2-enoyl-[acp]
ReactionCatalysis2769
ACTIVATION
GO:0005615
GENE ONTOLOGY
trans hex-2-enoyl-[acp]
ReactionCatalysis2768
ACTIVATION
1.0
1.0
ReactionCatalysis2761
ACTIVATION
ReactionCatalysis2760
ACTIVATION
ReactionCatalysis2763
ACTIVATION
(R)-3-hydroxydodecanoyl-[acp]
ReactionCatalysis2762
ACTIVATION
(3R)-3-hydroxymyristoyl-[acp]
1.0
1.0
CPD-8587
BioCyc
SMILES
NC(=O)C1=C[N+](=CC=C1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N2C=NC3=C2N=CN=C3N)[C@@H](O)[C@H]1O
5682
ChemSpider
hexanoyl-[acyl-carrier-protein]
Lipoic Acid Metabolism
SubPathway
CHEBI:1146900
ChEBI
myristoyl-[acp]
Octanoyl-[acyl-carrier protein]
(R)-3-hydroxybutanoyl-[acp]
(3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase
1.0
CO-A
BioCyc
CPD-8475
BioCyc
5675
ChemSpider
72-89-9
CAS
Coenzyme A
crotonyl-[acp]
C21H36N7O16P3S
Coenzyme A
767.11523
decanoyl-[acp]
dodecanoyl-[acp]
ReactionCatalysis3353
ACTIVATION
10213
ChemSpider
CHEBI:15422
ChEBI
2.0
6557
ChemSpider
Escherichia coli
SMILES
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
524-14-1
CAS
388299
ChemSpider
1.0
1.0
butyryl-[acp]
PW000797
PathWhiz
1.0
CHEBI:16526
ChEBI
1.0
a trans-Δ2-decenoyl-[acp]
CHEBI:16761
ChEBI
1.0
acetoacetyl-[acp]
an (R)-3-hydroxydecanoyl-[acp]
Palmitic acid
1.0
CHEBI:30805
ChEBI
1.0
CHEBI:17544
ChEBI
392413
ChemSpider
3-oxo-palmitoyl-[acp]
1.0
5893
PubChem-compound
6.4.1.2
false
6.4.1.2
Acetyl-CoA + Adenosine triphosphate + Hydrogen carbonate → Adenosine diphosphate + Hydrogen Ion + Malonyl-CoA + Phosphate
LEFT_TO_RIGHT
1.0
BiologicalState184
Bacteria
2.3.1.180
false
2.3.1.180
Acetyl-CoA + Hydrogen Ion + a malonyl-[acp] → Carbon dioxide + Coenzyme A + acetoacetyl-[acp]
LEFT_TO_RIGHT
CHEBI:15377
ChEBI
C24H38N7O19P3S
Malonyl-CoA
853.1156
CHEBI:15378
ChEBI
SMILES
[H+]
1.0
2.0
SMILES
NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
5886
PubChem-compound
1.0
3-oxo-decanoyl-[acp]
1.0
3-oxo-dodecanoyl-[acp]
280
PubChem-compound
3-oxo-hexanoyl-[acp]
3-oxo-myristoyl-[acp]
3-oxo-octanoyl-[acp]
2
TAXONOMY
Malonyl-CoA
(R)-3-hydroxyhexanoyl-[acp]
(R)-3-hydroxyoctanoyl-[acp]
(R)-3-hydroxypalmitoyl-[acp]
2.0
1061
PubChem-compound
1.0
1.0
HMDB0001967
HMDB
HMDB0000638
HMDB
CHEBI:15351
ChEBI
Biotin carboxylase
1.1.1.100
false
1.1.1.100
Hydrogen Ion + NADPH + acetoacetyl-[acp] → (R)-3-hydroxybutanoyl-[acp] + NADP
LEFT_TO_RIGHT
4.2.1.59
false
4.2.1.59
(R)-3-hydroxybutanoyl-[acp] → Water + crotonyl-[acp]
LEFT_TO_RIGHT
85-61-0
CAS
MALONYL-COA
BioCyc
1.3.1.9
false
1.3.1.9
Hydrogen Ion + NADH + trans hex-2-enoyl-[acp] → NAD + hexanoyl-[acyl-carrier-protein]
LEFT_TO_RIGHT
1.1.1.100
false
1.1.1.100
3-oxo-hexanoyl-[acp] + Hydrogen Ion + NADPH → (R)-3-hydroxyhexanoyl-[acp] + NADP
LEFT_TO_RIGHT
4.2.1.59
false
4.2.1.59
(R)-3-hydroxyhexanoyl-[acp] → Water + trans hex-2-enoyl-[acp]
LEFT_TO_RIGHT
1.3.1.9
false
1.3.1.9
Hydrogen Ion + NADH + crotonyl-[acp] → NAD + butyryl-[acp]
LEFT_TO_RIGHT
2.3.1.41
false
2.3.1.41
Hydrogen Ion + a malonyl-[acp] + butyryl-[acp] → 3-oxo-hexanoyl-[acp] + Carbon dioxide + a holo-[acyl-carrier protein]
LEFT_TO_RIGHT