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

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ChEBI Name 3,8-dimethyldeca-4,6-diyne-3,8-diol
ChEBI ID CHEBI:87340
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H18O2
Net Charge 0
Average Mass 194.27010
Monoisotopic Mass 194.13068
InChI InChI=1S/C12H18O2/c1-5-11(3,13)9-7-8-10-12(4,14)6-2/h13-14H,5-6H2,1-4H3
InChIKey GLWDRGVPXZBLDS-UHFFFAOYSA-N
SMILES CCC(C)(O)C#CC#CC(C)(O)CC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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ChEBI Ontology
Outgoing 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 Numbers Types Sources
1238087 Reaxys Registry Number Reaxys
6626-33-1 CAS Registry Number ChemIDplus
6626-33-1 CAS Registry Number NIST Chemistry WebBook
Last Modified
02 September 2015