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CHEBI:185335 - PGP(18:0/18:1(11Z))

ChEBI IDCHEBI:185335
ChEBI NamePGP(18:0/18:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H82O13P2
Net Charge0
Average Mass857.053
Monoisotopic Mass856.52307
SMILESCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C42H82O13P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(44)51-37-40(38-54-57(49,50)53-36-39(43)35-52-56(46,47)48)55-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h14,16,39-40,43H,3-13,15,17-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b16-14-/t39-,40+/m0/s1
InChIKeyYATWIYWYMGEZHA-KBTQSRGQSA-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(18:0/18:1(11Z)) (CHEBI:185335) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] octadecanoate
Manual XrefsDatabases
LMGP05010002LIPID MAPS
HMDB0013505HMDB
35032683ChemSpider