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CHEBI:166801 - 20S-Hydroxycholesterol

ChEBI IDCHEBI:166801
ChEBI Name20S-Hydroxycholesterol
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@]1([C@@](C)(O)CCCC(C)C)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@@]21C
InChIInChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21?,22?,23?,24-,25-,26-,27-/m0/s1
InChIKeyMCKLJFJEQRYRQT-BEOVMOENSA-N
ChEBI Ontology
Outgoing Relation(s)
20S-Hydroxycholesterol (CHEBI:166801) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,10R,13S,17S)-17-[(2S)-2-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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