Concept information
Preferred term
(22r)-3alpha,7alpha,22-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(19(26)12-21(28)29)16-4-5-17-22-18(7-9-24(16,17)3)23(2)8-6-15(25)10-14(23)11-20(22)27/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18-,19+,20+,22-,23-,24+/m0/s1
inchikey
- IPSHXEXQGICLQN-IDIMTOGTSA-N
mass
- 408.579
monoisotopicmass
- 408.28757
smiles
- O[C@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H]([C@H](O)CC(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
subset
- 2_STAR
synonym EXACT
- (3R,4S)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-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]-3-hydroxypentanoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:184528
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