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CHEBI:157640 - 20alpha-hydroxycholesterol

ChEBI IDCHEBI:157640
ChEBI Name20alpha-hydroxycholesterol
Stars
Last Modified12 March 2021
Submittermwilliams
DownloadsMolfile
FormulaC27H46O2
Net Charge0
Average Mass402.663
Monoisotopic Mass402.34978
SMILES[H][C@@]12CC=C3CC(O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@](C)(O)CCCC(C)C
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-UYAFMQFKSA-N
Species of MetaboliteComponentSourceComments
Aspergillus fumigatus (ncbitaxon:746128) Whole Organism (NCIT:C13413) MetaboLights (MTBLS1636)
ChEBI Ontology
Outgoing Relation(s)
20alpha-hydroxycholesterol (CHEBI:157640) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(8S,9S,10R,13S,14S,17S)-17-[(2R)-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