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CHEBI:52682 - butane-1,2-diol

ChEBI IDCHEBI:52682
ChEBI Namebutane-1,2-diol
Stars
DefinitionA butanediol in which the two hydroxy groups are located at positions 1 and 2.
Last Modified5 March 2021
Submitterwittigu
DownloadsMolfile
FormulaC4H10O2
Net Charge0
Average Mass90.122
Monoisotopic Mass90.06808
SMILESCCC(O)CO
InChIInChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3
InChIKeyBMRWNKZVCUKKSR-UHFFFAOYSA-N
Wikipedia
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)
butane-1,2-diol (CHEBI:52682) has role metabolite (CHEBI:25212)
butane-1,2-diol (CHEBI:52682) is a butanediol (CHEBI:52684)
butane-1,2-diol (CHEBI:52682) is a glycol (CHEBI:13643)
Incoming Relation(s)
1-hydroxybutan-2-one (CHEBI:88390) has functional parent butane-1,2-diol (CHEBI:52682)
(R)-butane-1,2-diol (CHEBI:52685) is a butane-1,2-diol (CHEBI:52682)
(S)-butane-1,2-diol (CHEBI:52686) is a butane-1,2-diol (CHEBI:52682)
IUPAC Name 
butane-1,2-diol
Synonyms  Source
1,2-ButandiolNIST Chemistry WebBook
1,2-ButanediolSUBMITTER
1,2-Butylene glycolChemIDplus
1,2-DihydroxybutaneChemIDplus
1,2-(Dihydroxy)butaneNIST Chemistry WebBook
alpha-Butylene glycolChemIDplus
Manual XrefsDatabases
1,2-ButanediolWikipedia
CPD-12010MetaCyc
Registry NumbersSources
Gmelin:396703Gmelin
Reaxys:969169Reaxys
CAS:584-03-2NIST Chemistry WebBook
CAS:584-03-2ChemIDplus
Citations