Universal:hxcoa
hexanoyl-CoA(4-)
Default Component
hxcoa:-4
- hexanoyl-CoA(4-)
- Charge: -4
- Formula: C27H42N7O17P3S
CHEBI:62620
- hexanoyl-CoA(4-)
- Type: Small Molecule
- InChiKey: OEXFMSFODMQEPE-HDRQGHTBSA-J
- View on ChEBI
Properties
- Molecular Mass||g/mol: 861.645[0], 862.0[1]
- 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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-][0,1]
- Names: caproyl-CoA(4-)[0], 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(hexanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} diphosphate)[0], hexanoyl-coenzyme A[0,1], hexanoyl-CoA[0,1], Hexanoyl-CoA[1], Hexanoyl-CoA (n-C6:0CoA)[1]
Linkouts
- CHEBI: CHEBI:62620 [0]
- SEED Compound: cpd03124 [1]
- KEGG Compound: C05270 [1]
- MetaCyc Compound: HEXANOYL-COA [1]
- MetaNetX Chemical: MNXM553 [1]
Alternative Component
hxcoa:0
- hexanoyl-CoA
- Charge: 0
- Formula: C27H46N7O17P3S
CHEBI:27540
- hexanoyl-CoA
- Type: Small Molecule
- InChiKey: OEXFMSFODMQEPE-HDRQGHTBSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 865.6784[0]
- 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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O[0]
- Names: Hexanoyl-CoA[0], hexanoyl-CoA[0], 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(hexanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)[0], Hexanoyl-coenzyme A[0], Coenzyme A, S-hexanoate[0], caproyl-coenzyme A[0], caproyl-CoA[0], n-hexanoyl-coenzyme A[0], n-hexanoyl-CoA[0], S-hexanoyl-coenzyme-A[0], S-Hexanoyl-coenzym-A[0], S-hexanoyl-CoA[0]
Linkouts
- CHEBI: CHEBI:27540 [0]
- KEGG Compound: C05270 [0]
- HMDB: HMDB0002845 [0]
- DrugBank: DB02563 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |