CHEBI:157640 - 20alpha-hydroxycholesterol

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 20alpha-hydroxycholesterol
ChEBI ID CHEBI:157640
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C27H46O2
Net Charge 0
Average Mass 402.663
Monoisotopic Mass 402.34978
InChI InChI=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
InChIKey MCKLJFJEQRYRQT-UYAFMQFKSA-N
SMILES O[C@@]([C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(=CC3)CC(O)CC4)C)(CC2)[H])[H])(CC1)[H])C)[H])(CCCC(C)C)C
Metabolite of Species Details
Aspergillus fumigatus (NCBI:txid746128) Found in Whole Organism (NCIT:C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Last Modified
12 March 2021