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CHEBI:172821 - PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:172821
ChEBI NamePG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H71O10P
Net Charge0
Average Mass766.994
Monoisotopic Mass766.47849
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,39-40,43-44H,3-10,15-16,21-22,27-38H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40+/m0/s1
InChIKeyCRMBDNVWTUGBMN-FQTJGYFUSA-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)
PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z)) (CHEBI:172821) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
24768165ChemSpider
HMDB0010666HMDB
LMGP04010380LIPID MAPS