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CHEBI:68536 - 1,2-di-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol

ChEBI IDCHEBI:68536
ChEBI Name1,2-di-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol
Stars
ASCII Name1,2-di-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 both cis-vaccenoyl [(11Z)-octadec-11-enoyl].
Last Modified18 February 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC45H82O10
Net Charge0
Average Mass783.141
Monoisotopic Mass782.59080
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)CCCCCCCCC/C=C\CCCCCC
InChIInChI=1S/C45H82O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,38-39,42-46,49-51H,3-12,17-37H2,1-2H3/b15-13-,16-14-/t38-,39-,42-,43+,44-,45+/m1/s1
InChIKeyKUGPVBSGRBLYEY-XPWNHMMWSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-di-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol (CHEBI:68536) is a α-D-Glc-(1→3')-1,2-diacylglycerol (CHEBI:67149)
IUPAC Name 
(2S)-3-(α-D-glucopyranosyloxy)propane-1,2-diyl (11Z,11'Z)-bis(octadec-11-enoate)
Synonyms  Source
1,2-di-O-cis-vaccenoyl-3-O-α-D-glucosyl-sn-glycerolChEBI
Glc-DAG-s3ChEBI
Citations