Concept information
Preferred term
3alpha,9alpha-dihydroxy-11-oxo-5beta-cholan-24-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C24H38O5
inchi
- InChI=1S/C24H38O5/c1-14(4-9-21(27)28)17-7-8-18-19-6-5-15-12-16(25)10-11-23(15,3)24(19,29)20(26)13-22(17,18)2/h14-19,25,29H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17-,18+,19+,22-,23+,24+/m1/s1
inchikey
- UGIYNEUNLPMQNC-QLIMCPMHSA-N
mass
- 406.563
monoisotopicmass
- 406.27192
smiles
- O[C@@]12[C@]([C@]3([C@@]([C@](CC3)([C@@H](CCC(O)=O)C)[H])(CC1=O)C)[H])(CC[C@]4([C@@]2(CC[C@@H](O)C4)C)[H])[H]
subset
- 2_STAR
synonym EXACT
- (4R)-4-[(3R,5R,8S,9R,10S,13R,14S,17R)-3,9-dihydroxy-10,13-dimethyl-11-oxo-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:176412
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