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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:67095 - heptane-1,2,3-triol
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ChEBI Ontology
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ChEBI Name
heptane-1,2,3-triol
ChEBI ID
CHEBI:67095
Definition
A triol comprising heptane substituted with hydroxy groups at C-1, -2 and -3.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Vincent Fazio
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Formula
C7H16O3
Net Charge
0
Average Mass
148.20010
Monoisotopic Mass
148.10994
InChI
InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3
InChIKey
HXYCHJFUBNTKQR-UHFFFAOYSA-N
SMILES
CCCCC(O)C(O)CO
ChEBI Ontology
Outgoing
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
(2
R
,3
R
)-heptane-1,2,3-triol (
CHEBI:43208
)
is a
heptane-1,2,3-triol (
CHEBI:67095
)
IUPAC Name
heptane-1,2,3-triol
Synonyms
Sources
1,2,3-Heptanetriol
ChemIDplus
1,2,3-Trihydroxyheptane
ChemIDplus
1-butylglycerol
ChEBI
1-n-butylglycerol
ChEBI
Registry Numbers
Types
Sources
103404-57-5
CAS Registry Number
ChemIDplus
1737083
Reaxys Registry Number
Reaxys
Last Modified
14 August 2012