CHEBI:85242 - 1-octanoyl-sn-glycerol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-octanoyl-sn-glycerol
ChEBI ID CHEBI:85242
ChEBI ASCII Name 1-octanoyl-sn-glycerol
Definition A 1-acyl-sn-glycerol that has octanoyl as the 1-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/t10-/m0/s1
InChIKey GHBFNMLVSPCDGN-JTQLQIEISA-N
SMILES CCCCCCCC(=O)OC[C@@H](O)CO
ChEBI Ontology
Outgoing 1-octanoyl-sn-glycerol (CHEBI:85242) is a 1-acyl-sn-glycerol (CHEBI:64683)
1-octanoyl-sn-glycerol (CHEBI:85242) is a 1-monooctanoylglycerol (CHEBI:85241)
1-octanoyl-sn-glycerol (CHEBI:85242) is enantiomer of 3-octanoyl-sn-glycerol (CHEBI:85244)
Incoming rac-1-monooctanoylglycerol (CHEBI:84309) has part 1-octanoyl-sn-glycerol (CHEBI:85242)
3-octanoyl-sn-glycerol (CHEBI:85244) is enantiomer of 1-octanoyl-sn-glycerol (CHEBI:85242)
IUPAC Name
(2S)-2,3-dihydroxypropyl octanoate
Synonyms Sources
(2S)-1-O-octanoylglycerol ChEBI
MG(8:0/0:0/0:0) ChEBI
Registry Number Type Source
6386436 Reaxys Registry Number Reaxys
Last Modified
16 March 2015