Universal:sbzcoa
4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5-)
Default Component
sbzcoa:-5
- 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5-)
- Charge: -5
- Formula: C32H39N7O20P3S
CHEBI:57364
- 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA(5-)
- Type: Small Molecule
- InChiKey: KVAQAPQXOXTRAE-HSJNEKGZSA-I
- View on ChEBI
Properties
- Molecular Mass||g/mol: 966.676[0], 967.0[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)CCC(=O)c1ccccc1C(=O)[O-][0,1]
- Names: 2-succinylbenzoyl-CoA[0,1], 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA(5-)[0], OSB-CoA(5-)[0], Succinylbenzoyl-CoA[1], 2-(3'-carboxypropionyl)benzoyl-CoA[1], 2-Succinylbenzoyl-CoA[1], 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA[1], 4-(2-Carboxyphenyl)-4-oxobutanoyl-CoA[1], O-Succinylbenzoyl-CoA[1], o-Succinylbenzoyl-CoA[1], o-succinylbenzoyl-CoA[1], succinylbenzoyl-CoA[1]
Alternative Component
sbzcoa:0
- 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA
- Charge: 0
- Formula: C32H44N7O20P3S
CHEBI:15509
- 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA
- Type: Small Molecule
- InChiKey: KVAQAPQXOXTRAE-HSJNEKGZSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 971.715[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)CCC(=O)c1ccccc1C(=O)O[0]
- Names: o-Succinylbenzoyl-CoA[0], ortho-Succinylbenzoyl-coa[0], Coenzyme A, S-(2-(3-carboxy-1-oxopropyl)benzoate)[0], 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA[0], 4-(2'-carboxyphenyl)-4-oxobutyryl-coenzyme A[0], 4-(2-carboxyphenyl)-4-oxobutanoyl-CoA[0], OSB-CoA[0]
Linkouts
- CHEBI: CHEBI:15509 [0]
- KEGG Compound: C03160 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |