Universal:octcoa
octanoyl-CoA(4-)
Default Component
octcoa:-4
- octanoyl-CoA(4-)
- Charge: -4
- Formula: C29H46N7O17P3S
CHEBI:57386
- octanoyl-CoA(4-)
- Type: Small Molecule
- InChiKey: KQMZYOXOBSXMII-CECATXLMSA-J
- View on ChEBI
Properties
- Molecular Mass||g/mol: 889.699[0], 890.0[1]
- 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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-][0,1]
- Names: octanoyl-CoA[0,1], 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate)[0], capryloyl-CoA tetraanion[0], capryloyl-coenzyme A(4-)[0], octanoyl-CoA tetraanion[0], capryloyl-CoA(4-)[0], octanoyl-coenzyme A(4-)[0], Octanoyl-CoA[1], Octanoyl-CoA (n-C8:0CoA)[1], capryloyl-CoA[1]
Linkouts
- CHEBI: CHEBI:57386 [0]
- MetaCyc Compound: CPD-196 [0,1]
- SEED Compound: cpd01335 [1]
- KEGG Compound: C01944 [1]
- MetaNetX Chemical: MNXM342 [1]
Alternative Component
octcoa:0
- octanoyl-CoA
- Charge: 0
- Formula: C29H50N7O17P3S
CHEBI:15533
- octanoyl-CoA
- Type: Small Molecule
- InChiKey: KQMZYOXOBSXMII-CECATXLMSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 893.73[0]
- 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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O[0]
- Names: Octanoyl-CoA[0], 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate)[0], Octanoyl-coenzyme A[0], Octanoyl-coa[0], Coenzyme A, S-octanoate[0], 8:0-CoA[0], capryloyl-CoA[0], octylyl-CoA[0], capryloyl-coenzyme A[0], octylyl-coenzyme A[0], C8:0-CoA[0], octanoylcoenzyme A[0], n-octanoyl-CoA[0]
Linkouts
- CHEBI: CHEBI:15533 [0]
- KEGG Compound: C01944 [0]
- HMDB: HMDB0001070 [0]
- DrugBank: DB02910 [0]
- Wikipedia: Octanoyl-CoA [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |