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

ChEBI IDCHEBI:77623
ChEBI Name1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol
Stars
ASCII Name1-palmitoyl-2-oleoyl-3-stearoyl-sn-glycerol
DefinitionA triacyl-sn-glycerol in which the acyl groups at positions 1, 2 and 3 are specifed as palmitoyl, oleoyl and stearoyl respectively.
Last Modified26 January 2015
Submitternhn
DownloadsMolfile
FormulaC55H104O6
Net Charge0
Average Mass861.431
Monoisotopic Mass860.78329
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=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
InChIKeyQXPXMOHHFYONAC-FEKLXSIDSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-Hexadecanoyl-2-(9Z-octadecenoyl)-3-octadecanoylglycerolHMDB
1-Palmitoyl-2-oleoyl-3-stearoylglycerolHMDB
1-(palmitoyloxy)-3-(stearoyloxy)propan-2-yl (9Z)-octadec-9-enoateIUPAC
Glycerol 1-octadecanoate 2-(9Z-octadecenoate) 3-hexadecanoateHMDB
TAG(52:1)HMDB
TG(16:0/18:1/18:0)HMDB
UniProt Name  Source
1-hexadecanoyl-2-(9Z)-octadecenoyl-3-octadecanoyl-sn-glycerolUniProt
Manual XrefsDatabases
HMDB0044110HMDB
Registry NumbersSources
Reaxys:2231022Reaxys
Citations