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CHEBI:184531 - PGP(18:1(9Z)/16:1(9Z))

ChEBI IDCHEBI:184531
ChEBI NamePGP(18:1(9Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H76O13P2
Net Charge0
Average Mass826.983
Monoisotopic Mass826.47612
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C40H76O13P2/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(42)49-35-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)53-40(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h14,16-18,37-38,41H,3-13,15,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b16-14-,18-17-/t37-,38+/m0/s1
InChIKeyVQWKGJJOWRWELC-GDNUZSQHSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
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(18:1(9Z)/16:1(9Z)) (CHEBI:184531) 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)-octadec-9-enoate
Manual XrefsDatabases
HMDB0013533HMDB
35032711ChemSpider