Concept information
Preferred term
3alpha,7alpha,11alpha-trihydroxy-12-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(4-7-18(27)28)15-5-6-16-19-17(26)11-13-10-14(25)8-9-23(13,2)20(19)21(29)22(30)24(15,16)3/h12-17,19-21,25-26,29H,4-11H2,1-3H3,(H,27,28)/t12-,13+,14-,15-,16+,17-,19-,20-,21+,23+,24-/m1/s1
inchikey
- DUHZPNGFRJKFOH-DCZNNHDUSA-N
mass
- 422.562
monoisotopicmass
- 422.26684
smiles
- O[C@H]1[C@@]2([C@@]([C@@]3([C@](C1)(C[C@H](O)CC3)[H])C)([C@H](O)C(=O)[C@]4([C@]2(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])C)[H])[H]
subset
- 2_STAR
synonym EXACT
- (4R)-4-[(3R,5S,7R,8S,9S,10S,11S,13R,14S,17R)-3,7,11-trihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:179324
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