CHEBI:187211 - 26,27-dinor-cholest-5-en-23-yn-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 26,27-dinor-cholest-5-en-23-yn-3beta-ol
ChEBI ID CHEBI:187211
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H38O
Net Charge 0
Average Mass 354.578
Monoisotopic Mass 354.29227
InChI InChI=1S/C25H38O/c1-5-6-7-17(2)21-10-11-22-20-9-8-18-16-19(26)12-14-24(18,3)23(20)13-15-25(21,22)4/h8,17,19-23,26H,7,9-16H2,1-4H3/t17-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey QIVWKKGISABDKH-NMQWMWRVSA-N
SMILES O[C@@H]1CC=2[C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)([C@@H](CC#CC)C)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 26,27-dinor-cholest-5-en-23-yn-3beta-ol (CHEBI:187211) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722)
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-hex-4-yn-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
10204074 ChemSpider
LMST01010288 LIPID MAPS
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Last Modified
17 January 2023