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CHEBI:65058 - 3-methylbutane-1,2-diol
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ChEBI Name
3-methylbutane-1,2-diol
ChEBI ID
CHEBI:65058
Definition
A glycol in which the two hydroxy groups are located at positions 1 and 2 of isopentane.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C5H12O2
Net Charge
0
Average Mass
104.14760
Monoisotopic Mass
104.08373
InChI
InChI=1S/C5H12O2/c1-4(2)5(7)3-6/h4-7H,3H2,1-2H3
InChIKey
HJJZIMFAIMUSBW-UHFFFAOYSA-N
SMILES
CC(C)C(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
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
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
Sources
1,2-dihydroxy-3-methylbutane
ChEBI
3-methyl-1,2-dihydroxybutane
ChEBI
Registry Numbers
Types
Sources
1719144
Reaxys Registry Number
Reaxys
50468-22-9
CAS Registry Number
ChemIDplus
50468-22-9
CAS Registry Number
NIST Chemistry WebBook
Citation
Type
Source
17439666
PubMed citation
Europe PMC
Last Modified
15 August 2023