Universal:cholate
cholate
Default Component
cholate:-1
- cholate
- Charge: -1
- Formula: C24H39O5
CHEBI:29747
- cholate
- Type: Small Molecule
- InChiKey: BHQCQFFYRZLCQQ-OELDTZBJSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 407.56346[0], 407.0[1]
- SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)[O-])[C@]1([H])[C@H](O)C2[0], C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O[1]
- Names: 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate[0,1], cholate[0,1], 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanate[0], Cholate[1], 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate[1], 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid[1], 3alpha,7alpha,12alpha-trihydroxy-5-beta-cholanoate[1], 3alpha,7alpha,12alpha-trihydroxy-5-beta-cholanoic acid[1], Cholic acid[1], cholic acid[1]
Alternative Component
cholate:0
- cholic acid
- Charge: 0
- Formula: C24H40O5
CHEBI:16359
- cholic acid
- Type: Small Molecule
- InChiKey: BHQCQFFYRZLCQQ-OELDTZBJSA-N
- View on ChEBI
Properties
- Molecular Mass||g/mol: 408.5714[0]
- SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])C[C@H](O)[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(=O)O)[C@]1([H])[C@H](O)C2[0]
- Names: 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanic acid[0], Cholic acid[0], 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic acid[0], (3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxycholan-24-oic acid[0], Cholsaeure[0], 3alpha,7alpha,12alpha-trihydroxy-5beta-cholanic acid[0], CHOLIC ACID[0], 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate[0]
Linkouts
- CHEBI: 16359 [0]
- KEGG Compound: C00695 [0]
- Wikipedia: Cholic_Acid [0]
- DrugBank: DB02659 [0]
- MetaCyc Compound: CHOLATE [0]
- HMDB: HMDB0000619 [0]
Metabolite in Models
| BiGG ID | Compartment | Charge | Model | Organism | |
|---|---|---|---|---|---|
| BiGG ID | Compartment | Charge | Model | Organism |