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CHEBI:187731 - PPA(18:1(9Z)/18:1(9Z))

ChEBI IDCHEBI:187731
ChEBI NamePPA(18:1(9Z)/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H74O11P2
Net Charge0
Average Mass780.958
Monoisotopic Mass780.47064
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C39H74O11P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)47-35-37(36-48-52(45,46)50-51(42,43)44)49-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3,(H,45,46)(H2,42,43,44)/b19-17-,20-18-/t37-/m1/s1
InChIKeySKWFYHADBYFCMH-DSSVUWSHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PPA(18:1(9Z)/18:1(9Z)) (CHEBI:187731) is a 1,2-diacylglycerol 3-diphosphate (CHEBI:52643)
IUPAC Name 
[(2R)-3-[hydroxy(phosphonooxy)phosphoryl]oxy-2-[(Z)-octadec-9-enoyl]oxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
21403063ChemSpider
LMGP11010002LIPID MAPS