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CHEBI:169479 - PGP(16:1(9Z)/16:1(9Z))

ChEBI IDCHEBI:169479
ChEBI NamePGP(16:1(9Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H72O13P2
Net Charge0
Average Mass798.929
Monoisotopic Mass798.44482
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C38H72O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(40)47-33-36(34-50-53(45,46)49-32-35(39)31-48-52(42,43)44)51-38(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h13-16,35-36,39H,3-12,17-34H2,1-2H3,(H,45,46)(H2,42,43,44)/b15-13-,16-14-/t35-,36+/m0/s1
InChIKeyPTJJTQQVMKSSOK-NWHZUZAFSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PGP(16:1(9Z)/16:1(9Z)) (CHEBI:169479) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxypropyl] (Z)-hexadec-9-enoate
Manual XrefsDatabases
HMDB0013488HMDB
35032667ChemSpider