butane-1,2-diol (CHEBI:52682)

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ChEBI Name	butane-1,2-diol

ChEBI ID	CHEBI:52682

Definition	A butanediol in which the two hydroxy groups are located at positions 1 and 2.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Ulrike Wittig

Supplier Information

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Formula

C4H10O2

Net Charge

Average Mass

90.12100

Monoisotopic Mass

90.06808

InChI

InChI=1S/C4H10O2/c1-2-4(6)3-5/h4-6H,2-3H2,1H3

InChIKey

BMRWNKZVCUKKSR-UHFFFAOYSA-N

SMILES

CCC(O)CO

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.

ChEBI Ontology
Outgoing	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	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

Citation	Type	Source
17439666	PubMed citation	Europe PMC

Last Modified

05 March 2021