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.
Supplier Information
Download Molfile XML SDF
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 Waiting for 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