Universal:3oocoa
3-oxooctanoyl-CoA(4-)
Default Component
3oocoa:-4
- 3-oxooctanoyl-CoA(4-)
- Charge: -4
- Formula: C29H44N7O18P3S
CHEBI:62619
- 3-oxooctanoyl-CoA(4-)
- Type: Small Molecule
- InChiKey: WPIVBCGRGVNDDT-CECATXLMSA-J
- View on ChEBI
Properties
- Molecular Mass||g/mol: 903.682[0], 904.0[1]
- 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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-][0,1]
- Names: 3-ketooctanoyl-CoA(4-)[0], 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}[0], 3-oxooctanoyl-CoA[0,1], 3-Oxooctanoyl-CoA[1]
Linkouts
- CHEBI: CHEBI:62619 [0]
- SEED Compound: cpd03121 [1]
- KEGG Compound: C05267 [1]
- MetaCyc Compound: CPD0-2106 [1]
- MetaNetX Chemical: MNXM706 [1]
Alternative Component
3oocoa:0
- 3-oxooctanoyl-CoA
- Charge: 0
- Formula: C29H48N7O18P3S
CHEBI:28264
- 3-oxooctanoyl-CoA
- Type: Small Molecule
- InChiKey: WPIVBCGRGVNDDT-CECATXLMSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 907.71508[0]
- 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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O[0]
- Names: 3-Oxooctanoyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxooctanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}[0], 3-oxooctanoyl-coenzyme A[0], 3-ketooctanoyl-coenzyme A[0], 3-ketooctanoyl-CoA[0]
Linkouts
- CHEBI: CHEBI:28264 [0]
- KEGG Compound: C05267 [0]
- HMDB: HMDB0003941 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |