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CHEBI:187211 - 26,27-dinor-cholest-5-en-23-yn-3beta-ol

ChEBI IDCHEBI:187211
ChEBI Name26,27-dinor-cholest-5-en-23-yn-3beta-ol
Stars
Last Modified17 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H38O
Net Charge0
Average Mass354.578
Monoisotopic Mass354.29227
SMILES[H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC#CC
InChIInChI=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
InChIKeyQIVWKKGISABDKH-NMQWMWRVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
10204074ChemSpider
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