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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:131388 - 1,2,3-butanetriol
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ChEBI Ontology
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ChEBI Name
1,2,3-butanetriol
ChEBI ID
CHEBI:131388
Definition
A triol that is butane carrying three hydroxy substituents at position 1, 2 and 3.
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/c1-3(6)4(7)2-5/h3-7H,2H2,1H3
InChIKey
YAXKTBLXMTYWDQ-UHFFFAOYSA-N
SMILES
OC(C(O)C)CO
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
MetaboLights Study
Homo sapiens
(NCBI:txid9606)
See:
PubMed
ChEBI Ontology
Outgoing
1,2,3-butanetriol (
CHEBI:131388
)
has parent hydride
butane (
CHEBI:37808
)
1,2,3-butanetriol (
CHEBI:131388
)
is a
triol (
CHEBI:27136
)
IUPAC Name
butane-1,2,3-triol
Synonym
Source
1,2,3-trihydroxybutane
ChEBI
Manual Xrefs
Databases
19304
ChemSpider
FDB013331
FooDB
HMDB0034778
HMDB
View more database links
Registry Numbers
Types
Sources
1633470
Reaxys Registry Number
Reaxys
4435-50-1
CAS Registry Number
NIST Chemistry WebBook
4435-50-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
10788314
PubMed citation
Europe PMC
23727864
PubMed citation
Europe PMC
28520403
PubMed citation
Europe PMC
3769520
PubMed citation
Europe PMC
Last Modified
05 March 2021