CHEBI:166800 - 19-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 19-Hydroxycholesterol
ChEBI ID CHEBI:166800
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)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
InChIKey YRWIUNJQYGATHV-FTLVODPJSA-N
SMILES OC[C@@]12[C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CCCC(C)C)C)[H])(CC3)C)[H])(CC=C1C[C@@H](O)CC2)[H])[H]
ChEBI Ontology
Outgoing 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 Xrefs Databases
4955687 ChemSpider
LMST01010274 LIPID MAPS
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Registry Number Type Source
561-63-7 CAS Registry Number ChemIDplus