CHEBI:77623 - 1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol

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ChEBI Name 1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol
ChEBI ID CHEBI:77623
ChEBI ASCII Name 1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol
Definition A triacyl-sn-glycerol in which the acyl groups at positions 1, 2 and 3 are specifed as palmitoyl, oleoyl and stearoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C55H104O6
Net Charge 0
Average Mass 861.41070
Monoisotopic Mass 860.78329
InChI InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3/b28-26-/t52-/m1/s1
InChIKey QXPXMOHHFYONAC-FEKLXSIDSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
ChEBI Ontology
Outgoing 1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol (CHEBI:77623) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol (CHEBI:77623) has functional parent octadecanoic acid (CHEBI:28842)
1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol (CHEBI:77623) has functional parent oleic acid (CHEBI:16196)
1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol (CHEBI:77623) is a triacyl-sn-glycerol (CHEBI:64615)
IUPAC Name
1-(hexadecanyloxy)-3-(octadecanoyloxy)propan-2-yl (9Z)-octadec-9-enoate
Synonyms Sources
1-(palmitoyloxy)-3-(stearoyloxy)propan-2-yl (9Z)-octadec-9-enoate IUPAC
1-hexadecanoyl-2-(9Z)-octadecenoyl-3-octadecanoyl-sn-glycerol UniProt
1-Hexadecanoyl-2-(9Z-octadecenoyl)-3-octadecanoylglycerol HMDB
1-Palmitoyl-2-oleoyl-3-stearoylglycerol HMDB
Glycerol 1-octadecanoate 2-(9Z-octadecenoate) 3-hexadecanoate HMDB
TAG(52:1) HMDB
TG(16:0/18:1(9Z)/18:0) HMDB
TG(16:0/18:1/18:0) HMDB
TG(52:1) HMDB
Triacylglycerol(16:0/18:1/18:0) HMDB
Triacylglycerol(52:1) HMDB
Manual Xref Database
HMDB0044110 HMDB
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Registry Number Type Source
2231022 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
9442064 PubMed citation SUBMITTER
Last Modified
26 January 2015