Concept information
Preferred term
2beta,7alpha,12alpha-trihydroxy-3-oxo-5beta-cholan-24-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C24H38O6
inchi
- InChI=1S/C24H38O6/c1-12(4-7-21(29)30)14-5-6-15-22-16(10-20(28)24(14,15)3)23(2)11-19(27)17(25)8-13(23)9-18(22)26/h12-16,18-20,22,26-28H,4-11H2,1-3H3,(H,29,30)/t12-,13+,14-,15+,16+,18-,19+,20+,22+,23+,24-/m1/s1
inchikey
- ORAGCKFNLGDCMP-NKFQCJGASA-N
mass
- 422.562
monoisotopicmass
- 422.26684
smiles
- O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(CC(=O)[C@@H](O)C4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
subset
- 2_STAR
synonym EXACT
- (4R)-4-[(2S,5R,7R,8R,9S,10S,12S,13R,14S,17R)-2,7,12-trihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:166704
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