CHEBI:172973 - (20,23-cyclo)-cholest-5-en-3beta-ol

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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 (20,23-cyclo)-cholest-5-en-3beta-ol
ChEBI ID CHEBI:172973
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C27H44O
Net Charge 0
Average Mass 384.648
Monoisotopic Mass 384.33922
InChI InChI=1S/C27H44O/c1-17(2)14-19-16-27(19,5)24-9-8-22-21-7-6-18-15-20(28)10-12-25(18,3)23(21)11-13-26(22,24)4/h6,17,19-24,28H,7-16H2,1-5H3/t19?,20-,21-,22-,23-,24-,25-,26-,27?/m0/s1
InChIKey DGMBRFFGNNFDAC-DZESUMFASA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@@](C5(C(C5)CC(C)C)C)(CC4)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in brain (BTO:0000142). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
ChEBI Ontology
Outgoing (20,23-cyclo)-cholest-5-en-3beta-ol (CHEBI:172973) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
IUPAC Name
(3S,8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-[1-methyl-2-(2-methylpropyl)cyclopropyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Manual Xref Database
LMST01010286 LIPID MAPS
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Last Modified
17 January 2023