- cholate
- Charge: -1
- Formula: C24H39O5
- Compartment: c - cytosol
- Universal Metabolite: cholate
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]
MEMOTE Flags
This metabolite was flagged in the following MEMOTE tests:
A total of 63 (3.25%) metabolites are not produced by any reaction of the model: cysi__L_c, __Ecoli_panGEMs__dsbard_p, gmplys_c, 2pglyc_c, dmbzid_c, ...
Orphans are metabolites that are only consumed but not produced by reactions in the model. They may indicate the presence of network and knowledge gaps. Implementation: Find orphan metabolites structurally by considering only reaction equations and bounds. FBA is not carried out.
Reactions involving cholate_c in 562_30432_json
| BiGG ID | Name | Reference | Transport | Collection-specific | Model | |
|---|---|---|---|---|---|---|
| BiGG ID | Name | Reference | Transport | Collection-specific | Model |