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CHEBI:68524 - 1-palmitoyl-2-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol

ChEBI IDCHEBI:68524
ChEBI Name1-palmitoyl-2-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol
Stars
ASCII Name1-palmitoyl-2-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 palmitoyl (hexadecanoyl) and cis-vaccenoyl [(11Z)-octadec-11-enoyl] respectively. Found in Streptococcus pneumoniae.
Last Modified1 October 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC43H80O10
Net Charge0
Average Mass757.103
Monoisotopic Mass756.57515
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(46)52-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)34-50-38(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/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
InChIKeyFJAAFGBZVPKOCR-HBHGLPGMSA-N
Roles Classification
Biological Role:
Streptococcus pneumoniae metabolite  Any bacterial metabolite produced during a metabolic reaction in Streptococcus pneumoniae.
ChEBI Ontology
Outgoing Relation(s)
1-palmitoyl-2-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol (CHEBI:68524) has role Streptococcus pneumoniae metabolite (CHEBI:76973)
1-palmitoyl-2-cis-vaccenoyl-3-α-D-glucosyl-sn-glycerol (CHEBI:68524) is a α-D-Glc-(1→3')-1,2-diacylglycerol (CHEBI:67149)
IUPAC Name 
(2S)-1-(α-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate
Synonyms  Source
1-O-palmitoyl-2-cis-O-vaccenoyl-3-O-α-D-glucosyl-sn-glycerolChEBI
Glc-DAG-s2ChEBI
SPN-Glc-DAGChEBI
Citations