Universal:3odcoa
3-oxodecanoyl-CoA(4-)
Default Component
3odcoa:-4
- 3-oxodecanoyl-CoA(4-)
- Charge: -4
- Formula: C31H48N7O18P3S
CHEBI:62548
- 3-oxodecanoyl-CoA(4-)
- Type: Small Molecule
- InChiKey: AZCVXMAPLHSIKY-HSJNEKGZSA-J
- View on ChEBI
Properties
- Molecular Mass||g/mol: 931.735[0], 932.0[1]
- 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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-][0,1]
- Names: 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate}[0], 3-oxodecanoyl-CoA[0,1], 3-Oxodecanoyl-CoA[1]
Linkouts
- CHEBI: CHEBI:62548 [0]
- SEED Compound: cpd03119 [1]
- KEGG Compound: C05265 [1]
- MetaCyc Compound: CPD0-2123 [1]
- MetaNetX Chemical: MNXM677 [1]
Alternative Component
3odcoa:0
- 3-oxodecanoyl-CoA
- Charge: 0
- Formula: C31H52N7O18P3S
CHEBI:28528
- 3-oxodecanoyl-CoA
- Type: Small Molecule
- InChiKey: AZCVXMAPLHSIKY-HSJNEKGZSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 935.76824[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](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O[0]
- Names: 3-Oxodecanoyl-CoA[0], 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxodecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}[0], 3-oxodecanoyl-coenzyme A[0], 3-ketodecanoyl-coenzyme A[0], 3-ketodecanoyl-CoA[0]
Linkouts
- CHEBI: CHEBI:28528 [0]
- KEGG Compound: C05265 [0]
- HMDB: HMDB0003939 [0]
- MetaCyc Compound: CPD0-2123 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |