Concept information
Preferred term
(23s)-3alpha,12alpha,23-trihydroxy-5beta-cholan-24-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C24H40O5
inchi
- InChI=1S/C24H40O5/c1-13(10-20(26)22(28)29)17-6-7-18-16-5-4-14-11-15(25)8-9-23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16+,17-,18+,19+,20+,21+,23+,24-/m1/s1
inchikey
- JVQJVQQIJKFTBS-PUCCHJFJSA-N
mass
- 408.579
monoisotopicmass
- 408.28757
smiles
- O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](CC3)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](C[C@H](O)C(O)=O)C)[H])[H])C
subset
- 2_STAR
synonym EXACT
- (2S,4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-hydroxypentanoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:181902
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