Concept information
Preferred term
3alpha,7alpha,16alpha,22s-tetrahydroxy-5beta-cholestan-26-oic acid
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
charge
- 0
formula
- C27H46O6
inchi
- InChI=1S/C27H46O6/c1-14(25(32)33)5-6-20(29)15(2)24-22(31)13-19-23-18(8-10-27(19,24)4)26(3)9-7-17(28)11-16(26)12-21(23)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14?,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+,26+,27+/m1/s1
inchikey
- PMUBYHLOSWGEMF-HUESEFGWSA-N
mass
- 466.659
monoisotopicmass
- 466.32944
smiles
- O[C@H]1[C@]2([C@]3([C@@]([C@]([C@H](O)C3)([C@@H]([C@@H](O)CCC(C)C(O)=O)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
subset
- 2_STAR
synonym EXACT
- (5S,6S)-5-hydroxy-2-methyl-6-[(3R,5S,7R,8R,9S,10S,13S,14S,16R,17R)-3,7,16-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:183628
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