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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:88063 - 1,2,4-butanetriol
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ChEBI Name
1,2,4-butanetriol
ChEBI ID
CHEBI:88063
Definition
A triol that is butane carrying three hydroxy substituents at position 1, 2 and 4.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C4H10O3
Net Charge
0
Average Mass
106.121
Monoisotopic Mass
106.06299
InChI
InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2
InChIKey
ARXKVVRQIIOZGF-UHFFFAOYSA-N
SMILES
OCCC(CO)O
Metabolite of Species
Details
Escherichia coli BL21
(NCBI:txid511693)
of strain BL21 See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
MetaboLights Study
Roles Classification
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in
Escherichia coli
.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
1,2,4-butanetriol (
CHEBI:88063
)
has parent hydride
butane (
CHEBI:37808
)
1,2,4-butanetriol (
CHEBI:88063
)
has role
Escherichia coli
metabolite (
CHEBI:76971
)
1,2,4-butanetriol (
CHEBI:88063
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
1,2,4-butanetriol (
CHEBI:88063
)
is a
triol (
CHEBI:27136
)
IUPAC Name
butane-1,2,4-triol
Synonyms
Sources
1,2,4-Butantriol
ChemIDplus
1,2,4-Trihydroxybutane
ChemIDplus
1,3,4-Butanetriol
ChemIDplus
Manual Xref
Database
CPD-16716
MetaCyc
View more database links
Registry Numbers
Types
Sources
1719409
Reaxys Registry Number
Reaxys
1733456
Beilstein Registry Number
ChemIDplus
3068-00-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
22898718
PubMed citation
Europe PMC
25008973
PubMed citation
Europe PMC
26498325
PubMed citation
Europe PMC
26670289
PubMed citation
Europe PMC
Last Modified
23 May 2016