CHEBI:166801 - 20S-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 20S-Hydroxycholesterol
ChEBI ID CHEBI:166801
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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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-BEOVMOENSA-N
SMILES O[C@]([C@@]1([C@@]2(C(C3C([C@@]4(C(=CC3)C[C@@H](O)CC4)C)CC2)CC1)C)[H])(CCCC(C)C)C
ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
24823271 ChemSpider
LMST01010134 LIPID MAPS
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