Concept information
Preferred term
(25r)-3alpha,7alpha,12alpha-trihydroxy-5alpha-cholestan-26-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C27H46O5
inchi
- InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16-,17-,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
inchikey
- CNWPIIOQKZNXBB-GPOFEMNNSA-N
mass
- 450.660
monoisotopicmass
- 450.33452
smiles
- O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC[C@@H](C)C(O)=O)C)[H])[H])C
subset
- 2_STAR
synonym EXACT
- (2R,6R)-2-methyl-6-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]heptanoic acid
In other languages
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:169070
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