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CHEBI:166800 - 19-Hydroxycholesterol

ChEBI IDCHEBI:166800
ChEBI Name19-Hydroxycholesterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(CO)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C27H46O2/c1-18(2)6-5-7-19(3)23-10-11-24-22-9-8-20-16-21(29)12-15-27(20,17-28)25(22)13-14-26(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3/t19-,21+,22+,23-,24+,25+,26-,27-/m1/s1
InChIKeyYRWIUNJQYGATHV-FTLVODPJSA-N
ChEBI Ontology
Outgoing Relation(s)
19-Hydroxycholesterol (CHEBI:166800) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,8S,9S,10S,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual XrefsDatabases
4955687ChemSpider
LMST01010274LIPID MAPS
Registry NumbersSources
CAS:561-63-7ChemIDplus