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CHEBI:87340 - 3,8-dimethyldeca-4,6-diyne-3,8-diol

ChEBI IDCHEBI:87340
ChEBI Name3,8-dimethyldeca-4,6-diyne-3,8-diol
Stars
DefinitionAn acetylenic compound that is deca-4,6-diyne substituted by methyl groups at positions 3 and 8 and hydroxy groups at positions 3 and 8 respectively.
Last Modified2 September 2015
Submitternamrata
DownloadsMolfile
FormulaC12H18O2
Net Charge0
Average Mass194.274
Monoisotopic Mass194.13068
SMILESCCC(C)(O)C#CC#CC(C)(O)CC
InChIInChI=1S/C12H18O2/c1-5-11(3,13)9-7-8-10-12(4,14)6-2/h13-14H,5-6H2,1-4H3
InChIKeyGLWDRGVPXZBLDS-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3,8-dimethyldeca-4,6-diyne-3,8-diol (CHEBI:87340) has role metabolite (CHEBI:25212)
3,8-dimethyldeca-4,6-diyne-3,8-diol (CHEBI:87340) is a acetylenic compound (CHEBI:73474)
3,8-dimethyldeca-4,6-diyne-3,8-diol (CHEBI:87340) is a diol (CHEBI:23824)
IUPAC Name 
3,8-dimethyldeca-4,6-diyne-3,8-diol
Registry NumbersSources
Reaxys:1238087Reaxys
CAS:6626-33-1ChemIDplus
CAS:6626-33-1NIST Chemistry WebBook