Universal:oxadpcoa
3-oxoadipyl-CoA(5-)
Default Component
oxadpcoa:-5
- 3-oxoadipyl-CoA(5-)
- Charge: -5
- Formula: C27H37N7O20P3S
CHEBI:57348
- 3-oxoadipyl-CoA(5-)
- Type: Small Molecule
- InChiKey: VKKKAAPGXHWXOO-BIEWRJSYSA-I
- View on ChEBI
Properties
- Molecular Mass||g/mol: 904.604[0], 905.0[1]
- SMILES: CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC(=O)[O-][0,1]
- Names: 3-oxoadipyl-CoA[0,1], 3'-phosphonatoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxylato-3-oxopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}[0], 3-Oxoadipyl-CoA[1], 3-keto-adipyl-coa[1], 3-ketoadipyl-CoA[1], beta-Ketoadipyl-CoA[1], beta-ketoadipyl-CoA[1]
Linkouts
- CHEBI: 57348 [0]
- SEED Compound: cpd01507 [1]
- KEGG Compound: C02232 [1]
- MetaCyc Compound: 3-KETO-ADIPYL-COA [1]
- MetaNetX Chemical: MNXM1264 [1]
Alternative Component
oxadpcoa:0
- 3-oxoadipyl-CoA
- Charge: 0
- Formula: C27H42N7O20P3S
CHEBI:15490
- 3-oxoadipyl-CoA
- Type: Small Molecule
- InChiKey: VKKKAAPGXHWXOO-BIEWRJSYSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 909.64484[0]
- SMILES: CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC(=O)O[0]
- Names: 3-Oxoadipyl-CoA[0], S-(5-carboxy-3-oxopentanoyl)-coenzyme A[0], 3'-phosphoadenosine 5'-{3-[(3R)-4-{[3-({2-[(5-carboxy-3-oxopentanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}[0], beta-Ketoadipyl-CoA[0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |