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CHEBI:166809 - 6,24S-Dihydroxycholesterol

ChEBI IDCHEBI:166809
ChEBI Name6,24S-Dihydroxycholesterol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O3
Net Charge0
Average Mass418.662
Monoisotopic Mass418.34470
SMILES[H][C@]1([C@H](C)CC[C@H](O)C(C)C)CCC2C3CC(O)=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C27H46O3/c1-16(2)24(29)9-6-17(3)20-7-8-21-19-15-25(30)23-14-18(28)10-12-27(23,5)22(19)11-13-26(20,21)4/h16-22,24,28-30H,6-15H2,1-5H3/t17-,18+,19?,20-,21?,22?,24+,26-,27-/m1/s1
InChIKeyWHTLPCXFTUAFRL-IAFIWARXSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6,24S-Dihydroxycholesterol (CHEBI:166809) is a bile acid (CHEBI:3098)
IUPAC Name 
(3S,10R,13R,17R)-17-[(2R,5S)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
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