CHEBI:75846 - 1,3-dioleoyl-2-palmitoylglycerol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,3-dioleoyl-2-palmitoylglycerol
ChEBI ID CHEBI:75846
Definition A triglyceride in which the acyl groups at positions 1 and 3 are specified as oleoyl while that at position 2 is specified as palmitoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C55H102O6
Net Charge 0
Average Mass 859.39480
Monoisotopic Mass 858.76764
InChI InChI=1S/C55H102O6/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h25-28,52H,4-24,29-51H2,1-3H3/b27-25-,28-26-
InChIKey PPTGNVIVNZLPPS-LBXGSASVSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC
ChEBI Ontology
Outgoing 1,3-dioleoyl-2-palmitoylglycerol (CHEBI:75846) has functional parent hexadecanoic acid (CHEBI:15756)
1,3-dioleoyl-2-palmitoylglycerol (CHEBI:75846) has functional parent oleic acid (CHEBI:16196)
1,3-dioleoyl-2-palmitoylglycerol (CHEBI:75846) is a triglyceride (CHEBI:17855)
IUPAC Name
2-(hexadecanoyloxy)propane-1,3-diyl (9Z,9'Z)bis-octadec-9-enoate
Synonyms Sources
1,3-di-(9Z)-octadecenoyl-2-hexadecanoylglycerol UniProt
2-(palmitoyloxy)propane-1,3-diyl (9Z,9'Z)bis-octadec-9-enoate IUPAC
TAG(18:1/16:0/18:1) HMDB
TAG(52:2) HMDB
TG(18:1(9Z)/16:0/18:1(9Z)) HMDB
TG(18:1/16:0/18:1) HMDB
TG(52:2) HMDB
TG[18:1(ω-9)/16:0/18:1(ω-9)] SUBMITTER
Triacylglycerol(18:1/16:0/18:1) HMDB
Triacylglycerol(52:2) HMDB
Manual Xref Database
HMDB0049741 HMDB
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Registry Number Type Source
3191190 Reaxys Registry Number Reaxys
Last Modified
15 October 2013