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CHEBI:68532 - 2-palmitoyl-1-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol

ChEBI IDCHEBI:68532
ChEBI Name2-palmitoyl-1-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol
Stars
ASCII Name2-palmitoyl-1-cis-vaccenoyl-3-alpha-D-glucosyl-sn-glycerol
DefinitionAn α-D-Glc-(1→3')-1,2-diacylglycerol in which the acyl groups at positions 1 and 2 are cis-vaccenoyl [(11Z)-octadec-11-enoyl] and palmitoyl (hexadecanoyl) respectively.
Last Modified26 September 2012
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC43H80O10
Net Charge0
Average Mass757.103
Monoisotopic Mass756.57515
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h13,15,36-37,40-44,47-49H,3-12,14,16-35H2,1-2H3/b15-13-/t36-,37-,40-,41+,42-,43+/m1/s1
InChIKeyZRLBVFCUWBATSB-HBHGLPGMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-palmitoyl-1-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol (CHEBI:68532) is a α-D-Glc-(1→3')-1,2-diacylglycerol (CHEBI:67149)
IUPAC Name 
(2S)-3-(α-D-glucopyranosyloxy)-2-(hexadecanoyloxy)propyl (11Z)-octadec-11-enoate
Synonyms  Source
2-Opalmitoyl-1-O-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerolChEBI
Glc-DAG-s1ChEBI
Citations