C23H38N7O17P3S
Acetyl-CoA
809.1258
17220838
ChemSpider
937
ChemSpider
Dodecanoic acid
SubPathwayOutput
(2E)-Decenoyl-CoA
3-oxodecanoyl-CoA
439153
PubChem-compound
Trifunctional enzyme subunit alpha, mitochondrial
Enoyl-CoA hydratase, mitochondrial
1.0
Transport115
false
Dodecanoic acid (→) Transport: Homo sapiens, Cell, Cytosol to Homo sapiens, Cell, Mitochondrion
LEFT_TO_RIGHT
C33H58N7O17P3S
Lauroyl-CoA
949.2823
CHEBI:16027
ChEBI
Decanoyl-CoA
Hexanoyl-CoA
SubPathwayInput
HMDB0001070
HMDB
ATP
BioCyc
PW000173
PathWhiz
PW000172
PathWhiz
PW000171
PathWhiz
Mitochondrial carnitine/acylcarnitine carrier protein
HMDB0006404
HMDB
559142
ChemSpider
1.0
PW000167
PathWhiz
5742
ChemSpider
CPD-196
BioCyc
Lauroyl-CoA
5858
ChemSpider
7-METHYL-3-OXOOCTANOYL-COA
BioCyc
1010
ChemSpider
Enoyl-CoA hydratase, mitochondrial
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
PPI
BioCyc
(2E)-Octenoyl-CoA
C33H56N7O17P3S
(2E)-Dodecenoyl-CoA
947.2666
C27H46N7O17P3S
Hexanoyl-CoA
865.18835
Trifunctional enzyme, mitochondrial
Cytosol
CHEBI:5086
ChEBI
LAUROYLCOA-CPD
BioCyc
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial
Lauroyl-CoA
SubPathwayOutput
Adenosine monophosphate
1.0
Hexanoyl-CoA
53477508
PubChem-compound
SubPathwayInteraction350
SubPathway350Reaction
SubPathwayReaction
SubPathwayInteraction351
SubPathway351Reaction
SubPathwayReaction
3-ketoacyl-CoA thiolase, mitochondrial
SubPathwayInteraction349
SubPathwayReaction
SubPathway349Reaction
SubPathwayInteraction347
SubPathway347Reaction
SubPathwayReaction
SubPathwayInteraction348
SubPathway348Reaction
SubPathwayReaction
C00001
KEGG Compound
1.0
CHEBI:18361
ChEBI
NADH
C00004
KEGG Compound
C00003
KEGG Compound
C00002
KEGG Compound
P42765
UniProt
Pyrophosphate
Coenzyme A
Mitochondrial Inner Membrane
1.0
389502
ChemSpider
389501
ChemSpider
C29H50N7O17P3S
Octanoyl-CoA
893.21967
C02679
KEGG Compound
C21H27N7O14P2
NAD
663.10913
389506
ChemSpider
389504
ChemSpider
C00010
KEGG Compound
HMDB0000902
HMDB
C00013
KEGG Compound
1.0
CHEBI:10723
ChEBI
4.0
Octanoyl-CoA
CHEBI:28264
ChEBI
H
Hydrogen Ion
1.007825
56-65-5
CAS
C00020
KEGG Compound
53-84-9
CAS
389510
ChemSpider
1.0
C00024
KEGG Compound
3-Hydroxydecanoyl-CoA
Trifunctional enzyme subunit beta, mitochondrial
1264-57-9
CAS
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial
CHEBI:28493
ChEBI
72059-49-5
CAS
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
AMP
BioCyc
HMDB0000250
HMDB
SMILES
OP(O)(=O)OP(O)(O)=O
16061159
PubChem-compound
1.0
SMILES
CCCCCCCC(=O)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
SMILES
[H][C@](O)(CCCCC)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(O)[C@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N
SMILES
CCCCCC(=O)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
SMILES
CCCCCCCCC[C@H](O)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
SMILES
CCCCCCCCCC(=O)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
1.0
3-hydroxyoctanoyl-CoA
C31H54N7O17P3S
Decanoyl-CoA
921.251
1.0
SMILES
CCCCCCC[C@H](O)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
7732-18-5
CAS
4.0
Acetyl-CoA
54684-64-9
CAS
61-19-8
CAS
HMDB0001487
HMDB
SMILES
NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
1.0
1.0
3-oxooctanoyl-CoA
O43772
UniProt
3-hydroxyoctanoyl-CoA
26330706
ChemSpider
1.0
C10H16N5O13P3
Adenosine triphosphate
506.99576
165436
PubChem-compound
NAD
HMDB0000045
HMDB
Acyl-coenzyme A synthetase ACSM1, mitochondrial
962
PubChem-compound
143-07-7
CAS
(2E)-Octenoyl-CoA
C03221
KEGG Compound
1.0
C00080
KEGG Compound
Water
Hydrogen Ion
1.0
Enoyl-CoA hydratase, mitochondrial
HMDB0002111
HMDB
(2E)-Dodecenoyl-CoA
6245-70-1
CAS
1.0
1.0
1.0
1.0
1.0
6.0
HMDB0003571
HMDB
1.0
1.0
1264-52-4
CAS
(2E)-Octenoyl-CoA
644102
PubChem-compound
1.0
444493
PubChem-compound
6083
PubChem-compound
3-oxododecanoyl-CoA
ACETYL-COA
BioCyc
H2O
Water
18.010565
SMILES
CCCCCCC\C=C\C(=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
SMILES
CCCCC\C=C\C(=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
P55084
UniProt
NADH
BioCyc
NAD
BioCyc
3756
ChemSpider
HMDB0059597
HMDB
(2E)-Decenoyl-CoA
(2E)-Decenoyl-CoA
Acetyl-CoA
SubPathwayInput
Trifunctional enzyme subunit alpha, mitochondrial
Acyl-coenzyme A synthetase ACSM1, mitochondrial
1.1.1.35
false
1.1.1.35
3-Hydroxydodecanoyl-CoA + NAD ↔ 3-oxododecanoyl-CoA + Hydrogen Ion + NADH
REVERSIBLE
ReactionCatalysis276
ACTIVATION
1.0
ReactionCatalysis277
ACTIVATION
2.3.1.16
false
2.3.1.16
Acetyl-CoA + Decanoyl-CoA → 3-oxododecanoyl-CoA + Coenzyme A
LEFT_TO_RIGHT
1.1.1.35
false
1.1.1.35
3-Hydroxydecanoyl-CoA + NAD ↔ 3-oxodecanoyl-CoA + Hydrogen Ion + NADH
REVERSIBLE
ReactionCatalysis272
ACTIVATION
78303-19-2
CAS
4.2.1.17
false
4.2.1.17
3-Hydroxydecanoyl-CoA ↔ (2E)-Decenoyl-CoA + Water
REVERSIBLE
ReactionCatalysis273
ACTIVATION
Adenosine triphosphate
SMILES
O
2.3.1.16
false
2.3.1.16
Acetyl-CoA + Octanoyl-CoA ↔ 3-oxodecanoyl-CoA + Coenzyme A
REVERSIBLE
371
ChemSpider
1.1.1.35
false
1.1.1.35
3-hydroxyoctanoyl-CoA + NAD ↔ 3-oxooctanoyl-CoA + Hydrogen Ion + NADH
REVERSIBLE
4.2.1.17
false
4.2.1.17
3-hydroxyoctanoyl-CoA ↔ (2E)-Octenoyl-CoA + Water
REVERSIBLE
C10H14N5O7P
Adenosine monophosphate
347.06308
2.3.1.16
false
2.3.1.16
Acetyl-CoA + Hexanoyl-CoA ↔ 3-oxooctanoyl-CoA + Coenzyme A
REVERSIBLE
P40939
UniProt
ReactionCatalysis267
ACTIVATION
ReactionCatalysis268
ACTIVATION
HMDB0000538
HMDB
6816
PubChem-compound
HMDB0002845
HMDB
1.0
5060-32-2
CAS
CHEBI:15846
ChEBI
4.2.1.17
false
4.2.1.17
3-Hydroxydodecanoyl-CoA ↔ (2E)-Dodecenoyl-CoA + Water
REVERSIBLE
NADH
1.0
ReactionCatalysis299
ACTIVATION
ReactionCatalysis297
ACTIVATION
440608
PubChem-compound
Reaction777
false
Octanoyl-CoA + electron-transfer flavoprotein → (2E)-Octenoyl-CoA + Reduced electron-transfer flavoprotein
LEFT_TO_RIGHT
Dodecanoic acid
HMDB0003938
HMDB
440606
PubChem-compound
HMDB0003939
HMDB
HMDB0003936
HMDB
440604
PubChem-compound
380
PubChem-compound
440603
PubChem-compound
HMDB0003937
HMDB
1038
PubChem-compound
HMDB0003941
HMDB
GO:0005829
GENE ONTOLOGY
3-oxooctanoyl-CoA
Fatty Acid Elongation in Mitochondria
SubPathway
HMDB0003940
HMDB
1.3.8.7
false
1.3.8.7
Lauroyl-CoA + electron-transfer flavoprotein → (2E)-Dodecenoyl-CoA + Reduced electron-transfer flavoprotein
LEFT_TO_RIGHT
C12H24O2
Dodecanoic acid
200.17763
Reduced electron-transfer flavoprotein
1.3.8.7
false
1.3.8.7
Decanoyl-CoA + electron-transfer flavoprotein → (2E)-Decenoyl-CoA + Reduced electron-transfer flavoprotein
LEFT_TO_RIGHT
CHEBI:16908
ChEBI
Citric Acid Cycle
SubPathway
1.0
HMDB0003949
HMDB
HMDB0003948
HMDB
1.0
1.0
45266564
PubChem-compound
SMILES
CCCCCCCCCC(=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
NAD
Coenzyme A
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial
HMDB0003712
HMDB
3-oxododecanoyl-CoA
Mitochondrion
CHEBI:15521
ChEBI
electron-transfer flavoprotein
1.0
58-68-4
CAS
HMDB0001423
HMDB
C31H52N7O17P3S
(2E)-Decenoyl-CoA
919.23535
C29H48N7O17P3S
(2E)-Octenoyl-CoA
891.20404
SMILES
CCCCCCCCCCCC(O)=O
4.0
P30084
UniProt
1.0
CHEBI:15533
ChEBI
CHEBI:57330
ChEBI
440615
PubChem-compound
C05264
KEGG Compound
C05263
KEGG Compound
C05266
KEGG Compound
C05265
KEGG Compound
Mitochondrial Beta-Oxidation of Long Chain Saturated Fatty Acids
SubPathway
Mitochondrial Beta-Oxidation of Medium Chain Saturated Fatty Acids
GO:0005759
GENE ONTOLOGY
Octanoyl-CoA
Mitochondrial Beta-Oxidation of Short Chain Saturated Fatty Acids
SubPathway
C05262
KEGG Compound
CHEBI:27868
ChEBI
SMP0000057
SMPDB
SMP0000054
SMPDB
Q08AH1
UniProt
1.0
Mitochondrial carnitine/acylcarnitine carrier protein
Dodecanoic acid
C05267
KEGG Compound
3893
PubChem-compound
Hydrogen Ion
1.0
C05275
KEGG Compound
H4O7P2
Pyrophosphate
177.94322
C05274
KEGG Compound
C05276
KEGG Compound
C21H29N7O14P2
NADH
665.12476
C05270
KEGG Compound
5957
PubChem-compound
HMDB0001206
HMDB
GO:0005743
GENE ONTOLOGY
Decanoyl-CoA
(2E)-Dodecenoyl-CoA
Water
C33H58N7O18P3S
3-Hydroxydodecanoyl-CoA
965.27716
GO:0005739
GENE ONTOLOGY
C33H56N7O18P3S
3-oxododecanoyl-CoA
963.26154
C31H54N7O18P3S
3-Hydroxydecanoyl-CoA
937.2459
1.0
C31H52N7O18P3S
3-oxodecanoyl-CoA
935.2302
C29H50N7O18P3S
3-hydroxyoctanoyl-CoA
909.2146
Decanoyl-CoA
C29H48N7O18P3S
3-oxooctanoyl-CoA
907.1989
1.0
3-Hydroxydecanoyl-CoA
1.0
10018-95-8
CAS
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
electron-transfer flavoprotein
3-oxodecanoyl-CoA
1.0
5682
ChemSpider
SMILES
CCCCCCCC(=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
Reduced electron-transfer flavoprotein
CHEBI:1146900
ChEBI
SMP0000480
SMPDB
4.0
CHEBI:28528
ChEBI
Mitochondrial Matrix
5280769
PubChem-compound
50411-91-1
CAS
SMP0000481
SMPDB
14000-31-8
CAS
5280768
PubChem-compound
SMP0000482
SMPDB
395736
ChemSpider
CO-A
BioCyc
3-Hydroxydodecanoyl-CoA
72-89-9
CAS
CHEBI:28632
ChEBI
C21H36N7O16P3S
Coenzyme A
767.11523
CHEBI:27668
ChEBI
1.0
79171-48-5
CAS
6.2.1.2
false
6.2.1.2
Adenosine triphosphate + Coenzyme A + Dodecanoic acid → Adenosine monophosphate + Lauroyl-CoA + Pyrophosphate
LEFT_TO_RIGHT
Q16836
UniProt
CHEBI:27540
ChEBI
Trifunctional enzyme subunit beta, mitochondrial
C01944
KEGG Compound
1.0
1.0
CHEBI:15422
ChEBI
6557
ChemSpider
1.0
Homo sapiens
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
388299
ChemSpider
1.0
(2E)-Dodecenoyl-CoA
2.0
1.0
1.0
3-Hydroxydodecanoyl-CoA
CHEBI:27537
ChEBI
Fatty Acid Biosynthesis
SubPathway
SMILES
CCCCCCCCCCCC(=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
C01832
KEGG Compound
P11310
UniProt
Octanoyl-CoA
449118
PubChem-compound
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial
CHEBI:30805
ChEBI
1.0
1.0
9606
TAXONOMY
T2-DECENOYL-COA
BioCyc
Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial
PW000022
PathWhiz
392413
ChemSpider
3-ketoacyl-CoA thiolase, mitochondrial
145018
ChemSpider
5893
PubChem-compound
ReactionCatalysis1247
ACTIVATION
CHEBI:28325
ChEBI
ReactionCatalysis1245
ACTIVATION
CHEBI:15377
ChEBI
3-ketoacyl-CoA thiolase, mitochondrial
CHEBI:15378
ChEBI
SMILES
[H+]
SMP0000456
SMPDB
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
CPD-7222
BioCyc
ReactionCatalysis1258
ACTIVATION
ReactionCatalysis1257
ACTIVATION
1.0
ReactionCatalysis1259
ACTIVATION
ReactionCatalysis1253
ACTIVATION
ReactionCatalysis1256
ACTIVATION
ReactionCatalysis1255
ACTIVATION
1.0
4444334
ChemSpider
4444335
ChemSpider
SMILES
CCCCCC(=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
1.0
PW000005
PathWhiz
6244-92-4
CAS
SMILES
CCCCCCCCC\C=C\C(=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
10018-94-7
CAS
Medium-chain specific acyl-CoA dehydrogenase, mitochondrial
ReactionCatalysis1260
ACTIVATION
1066-12-2
CAS
1.0
HMDB0000638
HMDB
CHEBI:15351
ChEBI
TransportCatalysis81
ACTIVATION
ReactionCatalysis1272
ACTIVATION
85-61-0
CAS
ReactionCatalysis1273
ACTIVATION
ReactionCatalysis1276
ACTIVATION
ReactionCatalysis1275
ACTIVATION
1.0