(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA (BioCAD00000000391)
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Metabolite Card
Formula: C48H80N7O20P3S (1199.4391)
SMILES: C[C@H](CCC[C@@H](C)C(=O)SCCN=C(O)CCN=C(O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C(N)N=CN=C12)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Synonyms [en]
(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA; (25R)-THCA-CoA; (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA; (25R)-3,7,12-Trihydroxycoprostanoyl-CoA; 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}; C17343
Last reviewed on 2024-06-28.
Cite this Page
(25R)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-26-oyl-CoA. 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China.
https://biocad_registry.innovation.ac.cn/s/(-)-arctiin
(retrieved
2026-01-03) (CAD Registry RN: BioCAD00000000391). Licensed
under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Note
This compound belongs to the family of Acyl CoAs. These are organic compounds contaning a coenzyme A substructure linked to another moeity through an ester bond.
DBLinks
- CAS Registry Number:
- PubChem CID: 15942889
- ChEBI: 37642
- HMDB: HMDB0060305
- LipidMaps: LMST04030231
- KEGG: C15613
- BioCyc:
- NCBI MeSH:
- Wikipedia:
Other DBLinks
- PubChem: 15942889
- ChEBI: ChEBI:37642
- HMDB: HMDB0060305
- LipidMaps: LMST04030231
- KEGG: C15613
- Metlin: METLIN_63318
- Coconut NaturalProduct: CNP0083650.2
- Coconut NaturalProduct: CNP0083650.3
Class / Ontology
- WishartLab ClassyFire: [Fatty acyl thioesters] Fatty acyl thioesters
- LipidMaps: [C27 bile acids, alcohols, and derivatives [ST0403]] C27 bile acids, alcohols, and derivatives [ST0403]
- ChEBI: [CHEBI:37642] (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
- Coconut NaturalProduct: [Fatty acyl CoAs] Fatty acyl CoAs
| ID | EC Number | Name |
|---|---|---|
| KEGG:R07374 | 1.17.99.3 | (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA:acceptor 24-oxidoreductase (24R-hydroxylating) |
| KEGG:R08733 | 6.2.1.7 | 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoate:CoA ligase (AMP-forming) |
| KEGG:R08734 | 5.1.99.4 | 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA 25-epimerase |
Taxonomy Source
Pathway Synthetic
| pathway id | name |
|---|---|
| Reactome:R-BTA-1430728 | Metabolism |
| Reactome:R-BTA-556833 | Metabolism of lipids |
| Reactome:R-BTA-194068 | Bile acid and bile salt metabolism |
| Reactome:R-CEL-194068 | Bile acid and bile salt metabolism |
| Reactome:R-CFA-1430728 | Metabolism |
| Reactome:R-CFA-556833 | Metabolism of lipids |
| Reactome:R-CFA-194068 | Bile acid and bile salt metabolism |
| Reactome:R-DRE-193368 | Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol |
| Reactome:R-DME-194068 | Bile acid and bile salt metabolism |
| Reactome:R-GGA-194068 | Bile acid and bile salt metabolism |
| Reactome:R-HSA-194068 | Bile acid and bile salt metabolism |
| Reactome:R-MMU-1430728 | Metabolism |
| Reactome:R-MMU-556833 | Metabolism of lipids |
| Reactome:R-MMU-8957322 | Metabolism of steroids |
| Reactome:R-RNO-193368 | Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol |
| Reactome:R-SSC-193368 | Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol |
| Reactome:R-XTR-194068 | Bile acid and bile salt metabolism |
| Reactome:R-BTA-8957322 | Metabolism of steroids |
| Reactome:R-CEL-556833 | Metabolism of lipids |
| Reactome:R-CEL-8957322 | Metabolism of steroids |