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> Main
CHEBI:85241 - 1-monooctanoylglycerol
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ChEBI Ontology
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ChEBI Name
1-monooctanoylglycerol
ChEBI ID
CHEBI:85241
Definition
A 1-monoglyceride that has octanoyl as the acyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C11H22O4
Net Charge
0
Average Mass
218.29000
Monoisotopic Mass
218.15181
InChI
InChI=1S/C11H22O4/c1-2-3-4-5-6-7-11(14)15-9-10(13)8-12/h10,12-13H,2-9H2,1H3
InChIKey
GHBFNMLVSPCDGN-UHFFFAOYSA-N
SMILES
CCCCCCCC(=O)OCC(O)CO
ChEBI Ontology
Outgoing
1-monooctanoylglycerol (
CHEBI:85241
)
is a
1-monoglyceride (
CHEBI:35759
)
1-monooctanoylglycerol (
CHEBI:85241
)
is a
octanoate ester (
CHEBI:87657
)
Incoming
1-octanoyl-
sn
-glycerol (
CHEBI:85242
)
is a
1-monooctanoylglycerol (
CHEBI:85241
)
3-octanoyl-
sn
-glycerol (
CHEBI:85244
)
is a
1-monooctanoylglycerol (
CHEBI:85241
)
IUPAC Name
2,3-dihydroxypropyl octanoate
Synonyms
Sources
1-Monocaprylin
ChemIDplus
1-Monooctanoin
ChemIDplus
1-octanoylglycerol
UniProt
1-octanoylglycerol
ChEBI
2,3-dihydroxypropyl octanoate
ChEBI
alpha-Monocaprylin
ChemIDplus
Glycerol-1-monooctanoate
ChemIDplus
Glyceryl 1-monooctanoate
ChemIDplus
glyceryl octanoate
ChEBI
Monoctanoin
ChemIDplus
Octanoic acid 1-monoglyceride
ChemIDplus
Registry Numbers
Types
Sources
1724525
Reaxys Registry Number
Reaxys
502-54-5
CAS Registry Number
ChemIDplus
Last Modified
14 January 2020
General Comment
2020-01-14
Please note that this is material with unspecified stereochemistry. There is a separate entry for the racemate (CHEBI:84309).