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

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ChEBI Name 2-methyl-1,2-butanediol
ChEBI ID CHEBI:131357
Definition A glycol that is 1,2-butanediol carrying an additional methyl substituent at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C5H12O2
Net Charge 0
Average Mass 104.148
Monoisotopic Mass 104.08373
InChI InChI=1S/C5H12O2/c1-3-5(2,7)4-6/h6-7H,3-4H2,1-2H3
InChIKey DOPZLYNWNJHAOS-UHFFFAOYSA-N
SMILES C(C(CO)(O)C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
CPD-19060 MetaCyc
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Registry Numbers Types Sources
1731915 Reaxys Registry Number Reaxys
41051-72-3 CAS Registry Number ChemIDplus
Last Modified
28 July 2016