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CHEBI:65058 - 3-methylbutane-1,2-diol

ChEBI IDCHEBI:65058
ChEBI Name3-methylbutane-1,2-diol
Stars
DefinitionA glycol in which the two hydroxy groups are located at positions 1 and 2 of isopentane.
Last Modified15 August 2023
SubmitterSteve
DownloadsMolfile
FormulaC5H12O2
Net Charge0
Average Mass104.149
Monoisotopic Mass104.08373
SMILESCC(C)C(O)CO
InChIInChI=1S/C5H12O2/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3
InChIKeyHJJZIMFAIMUSBW-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-methylbutane-1,2-diol (CHEBI:65058) has parent hydride isopentane (CHEBI:30362)
3-methylbutane-1,2-diol (CHEBI:65058) has role metabolite (CHEBI:25212)
3-methylbutane-1,2-diol (CHEBI:65058) is a glycol (CHEBI:13643)
Incoming Relation(s)
1-hydroxy-3-methylbutan-2-one (CHEBI:195497) has functional parent 3-methylbutane-1,2-diol (CHEBI:65058)
IUPAC Name 
3-methylbutane-1,2-diol
Synonyms  Source
3-methyl-1,2-dihydroxybutaneChEBI
1,2-dihydroxy-3-methylbutaneChEBI
Registry NumbersSources
Reaxys:1719144Reaxys
CAS:50468-22-9ChemIDplus
CAS:50468-22-9NIST Chemistry WebBook
Citations