Metabolomics Structure Database
|
MW REGNO: | 36481 |
Common Name: | 7alpha,12alpha-Dihydroxy-3-oxo-4-cholenoic acid |
Systematic Name: | 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid |
Synonyms: | [PubChem Synonyms] |
Exact Mass: | |
Formula: | C24H36O5 |
InChIKey: | ZZUMXQCSMJCDDC-DFQOQHGMSA-N |
LIPID MAPS Category: | Sterol Lipids [ST] |
LIPID MAPS mainclass: | Bile acids and derivatives [ST04] |
LIPID MAPS subclass: | C24 bile acids, alcohols, and derivatives [ST0401] |
SMILES: | 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)CCC(=O)C=C1C[C@@H]3O |
Studies: | Available studies(via PubChem CID) |
Select appropriate tab below to view additional details:
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y