EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:131388 - 1,2,3-butanetriol

ChEBI IDCHEBI:131388
ChEBI Name1,2,3-butanetriol
Stars
DefinitionA triol that is butane carrying three hydroxy substituents at position 1, 2 and 3.
Last Modified5 March 2021
Submittermwilliams
DownloadsMolfile
FormulaC4H10O3
Net Charge0
Average Mass106.121
Monoisotopic Mass106.06299
SMILESCC(O)C(O)CO
InChIInChI=1S/C4H10O3/c1-3(6)4(7)2-5/h3-7H,2H2,1H3
InChIKeyYAXKTBLXMTYWDQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- MetaboLights (MTBLS298)
- PubMed (26839171)
ChEBI Ontology
Outgoing Relation(s)
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-trihydroxybutaneChEBI
Manual XrefsDatabases
19304ChemSpider
HMDB0034778HMDB
FDB013331FooDB
Registry NumbersSources
Reaxys:1633470Reaxys
CAS:4435-50-1ChemIDplus
CAS:4435-50-1NIST Chemistry WebBook
Citations