- 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate
- Charge: -1
- Formula: C24H37O5
- Compartment: c - cytosol
- Universal Metabolite: dhcholn
CHEBI:11893
- 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate
- Type: Small Molecule
- InChiKey: RHCPKKNRWFXMAT-RRWYKFPJSA-M
- View on ChEBI
Properties
- Molecular Mass||g/mol: 405.54758[0], 405.0[1]
- SMILES: [H][C@]12CC(=O)[C@@]3([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(=O)[O-])[C@@]4(C)[C@@H](O)C[C@]3([H])[C@@]1(C)CC[C@@H](O)C2[0], C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C[1]
- Names: 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate[0,1], 3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oate[0,1], 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate[1]
Linkouts
- CHEBI: 11893 [0]
- SEED Compound: cpd02829 [1]
- KEGG Compound: C04643 [1]
- MetaCyc Compound: CHOLANATE2 [1]
- MetaNetX Chemical: MNXM3493 [1]
MEMOTE Flags
This metabolite was flagged in the following MEMOTE tests:
A total of 81 (4.18%) metabolites are not consumed by any reaction of the model: ribflv_p, tcynt_c, __Ecoli_panGEMs__apg141_c, dkdglcn_c, __Ecoli_panGEMs__o16a4colipa_e, ...
Dead-ends are metabolites that can only be produced but not consumed by reactions in the model. They may indicate the presence of network and knowledge gaps. Implementation: Find dead-end metabolites structurally by considering only reaction equations and bounds. FBA is not carried out.
Reactions involving dhcholn_c in 562_74553_json
| BiGG ID | Name | Reference | Transport | Collection-specific | Model | |
|---|---|---|---|---|---|---|
| BiGG ID | Name | Reference | Transport | Collection-specific | Model |