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CHEBI:166802 - 22-Hydroxycholesterol

ChEBI IDCHEBI:166802
ChEBI Name22-Hydroxycholesterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)C(O)CCC(C)C
InChIInChI=1S/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3/t18-,20-,21-,22+,23-,24-,25?,26-,27+/m0/s1
InChIKeyRZPAXNJLEKLXNO-UKNNTIGFSA-N
ChEBI Ontology
Outgoing Relation(s)
22-Hydroxycholesterol (CHEBI:166802) is a cholanoid (CHEBI:36078)
IUPAC Name 
(3S,8S,9S,10R,13S,14S,17R)-17-[(2S)-3-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
Manual XrefsDatabases
96893ChemSpider
LMST01010054LIPID MAPS
Registry NumbersSources
CAS:17711-16-9ChemIDplus