CHEBI:85241 - 1-monooctanoylglycerol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
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).