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CHEBI:186028 - PG(O-18:0/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:186028
ChEBI NamePG(O-18:0/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H79O9P
Net Charge0
Average Mass759.059
Monoisotopic Mass758.54617
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C42H79O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-48-38-41(39-50-52(46,47)49-37-40(44)36-43)51-42(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,20,40-41,43-44H,3-5,7,9-11,13,15-17,19,21-39H2,1-2H3,(H,46,47)/b8-6-,14-12-,20-18-/t40-,41+/m0/s1
InChIKeyYYKNDZDGMAWYCS-ASCTXPRASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PG(O-18:0/18:3(9Z,12Z,15Z)) (CHEBI:186028) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecoxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
113377660ChemSpider
LMGP04020030LIPID MAPS