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CHEBI:67095 - heptane-1,2,3-triol

ChEBI IDCHEBI:67095
ChEBI Nameheptane-1,2,3-triol
Stars
DefinitionA triol comprising heptane substituted with hydroxy groups at C-1, -2 and -3.
Last Modified14 August 2012
SubmitterVincent Fazio
DownloadsMolfile
FormulaC7H16O3
Net Charge0
Average Mass148.202
Monoisotopic Mass148.10994
SMILESCCCCC(O)C(O)CO
InChIInChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3
InChIKeyHXYCHJFUBNTKQR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
heptane-1,2,3-triol (CHEBI:67095) has parent hydride heptane (CHEBI:43098)
heptane-1,2,3-triol (CHEBI:67095) is a triol (CHEBI:27136)
Incoming Relation(s)
(2R,3R)-heptane-1,2,3-triol (CHEBI:43208) is a heptane-1,2,3-triol (CHEBI:67095)
IUPAC Name 
heptane-1,2,3-triol
Synonyms  Source
1,2,3-TrihydroxyheptaneChemIDplus
1,2,3-HeptanetriolChemIDplus
1-n-butylglycerolChEBI
1-butylglycerolChEBI
Registry NumbersSources
Reaxys:1737083Reaxys
CAS:103404-57-5ChemIDplus