CHEBI:166808 - 5alpha-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 5alpha-Hydroxycholesterol
ChEBI ID CHEBI:166808
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H48O2
Net Charge 0
Average Mass 404.679
Monoisotopic Mass 404.36543
InChI InChI=1S/C27H48O2/c1-18(2)7-6-8-19(3)22-9-10-23-21-12-16-27(29)17-20(28)11-15-26(27,5)24(21)13-14-25(22,23)4/h18-24,28-29H,6-17H2,1-5H3/t19-,20+,21+,22-,23+,24+,25-,26-,27-/m1/s1
InChIKey YGJKELZDRWFHOR-POBUXQGNSA-N
SMILES O[C@]12[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC1)[H])[H])(CC[C@H](O)C2)C
ChEBI Ontology
Outgoing 5alpha-Hydroxycholesterol (CHEBI:166808) is a cholestanoid (CHEBI:50401)
IUPAC Name
(3S,5R,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,5-diol
Manual Xrefs Databases
9265915 ChemSpider
LMST01010275 LIPID MAPS
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