Concept information
Preferred term
3alpha,6beta,7beta,12alpha-tetrahydroxy-5alpha-cholan-24-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C24H40O6
inchi
- InChI=1S/C24H40O6/c1-12(4-7-19(27)28)14-5-6-15-20-16(11-18(26)24(14,15)3)23(2)9-8-13(25)10-17(23)21(29)22(20)30/h12-18,20-22,25-26,29-30H,4-11H2,1-3H3,(H,27,28)/t12-,13-,14-,15+,16+,17-,18+,20+,21+,22-,23-,24-/m1/s1
inchikey
- COCMFMBNEAMQMA-ZGZKPZGFSA-N
mass
- 424.578
monoisotopicmass
- 424.28249
smiles
- O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@]([C@H](O)[C@@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H])C
subset
- 2_STAR
synonym EXACT
- (4R)-4-[(3R,5S,6S,7R,8R,9S,10R,12S,13R,14S,17R)-3,6,7,12-tetrahydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:181789
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