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CHEBI:131357 - 2-methyl-1,2-butanediol

ChEBI IDCHEBI:131357
ChEBI Name2-methyl-1,2-butanediol
Stars
DefinitionA glycol that is 1,2-butanediol carrying an additional methyl substituent at position 2.
Last Modified28 July 2016
Submittermwilliams
DownloadsMolfile
FormulaC5H12O2
Net Charge0
Average Mass104.149
Monoisotopic Mass104.08373
SMILESCCC(C)(O)CO
InChIInChI=1S/C5H12O2/c1-3-5(2,7)4-6/h6-7H,3-4H2,1-2H3
InChIKeyDOPZLYNWNJHAOS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (26839171)
- MetaboLights (MTBLS298)
ChEBI Ontology
Outgoing Relation(s)
2-methyl-1,2-butanediol (CHEBI:131357) has parent hydride isopentane (CHEBI:30362)
2-methyl-1,2-butanediol (CHEBI:131357) is a glycol (CHEBI:13643)
IUPAC Name 
2-methylbutane-1,2-diol
Manual XrefsDatabases
CPD-19060MetaCyc
Registry NumbersSources
Reaxys:1731915Reaxys
CAS:41051-72-3ChemIDplus