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CHEBI:184482 - PGP(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))

ChEBI IDCHEBI:184482
ChEBI NamePGP(20:4(5Z,8Z,11Z,14Z)/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74O13P2
Net Charge0
Average Mass848.989
Monoisotopic Mass848.46047
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCC/C=C\CCCCCC
InChIInChI=1S/C42H74O13P2/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h11,13-14,16-18,20,22,25,27,39-40,43H,3-10,12,15,19,21,23-24,26,28-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b13-11-,16-14-,18-17-,22-20-,27-25-/t39-,40+/m0/s1
InChIKeyOCHFFTNHHVPBML-ZVBUBADISA-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(20:4(5Z,8Z,11Z,14Z)/16:1(9Z)) (CHEBI:184482) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-2-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
74878195ChemSpider
HMDB0116483HMDB