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CHEBI:172841 - PGP(18:0/18:2(9Z,12Z))

ChEBI IDCHEBI:172841
ChEBI NamePGP(18:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H80O13P2
Net Charge0
Average Mass855.037
Monoisotopic Mass854.50742
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C42H80O13P2/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/h12,14,18,20,39-40,43H,3-11,13,15-17,19,21-38H2,1-2H3,(H,49,50)(H2,46,47,48)/b14-12-,20-18-/t39-,40+/m0/s1
InChIKeyBEGQHSCGKQAIAS-KKUBIFFLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
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(18:0/18:2(9Z,12Z)) (CHEBI:172841) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] octadecanoate
Manual XrefsDatabases
HMDB0013507HMDB
35032685ChemSpider