Concept information
Preferred term
3beta-hydroxy-11-oxo-5beta-cholan-24-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C24H38O4
inchi
- InChI=1S/C24H38O4/c1-14(4-9-21(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)22(17)20(26)13-24(18,19)3/h14-19,22,25H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,22-,23+,24-/m1/s1
inchikey
- YGKAXBKDNMYWFU-HKFWWWNPSA-N
mass
- 390.564
monoisotopicmass
- 390.27701
smiles
- O=C1[C@]2([C@]([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(C1)C)[H])(CC[C@]4([C@@]2(CC[C@H](O)C4)C)[H])[H])[H]
subset
- 2_STAR
synonym EXACT
- (4R)-4-[(3S,5R,8S,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-11-oxo-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:196619
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