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CHEBI:186170 - PG(P-18:0/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:186170
ChEBI NamePG(P-18:0/18:3(6Z,9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H77O9P
Net Charge0
Average Mass757.043
Monoisotopic Mass756.53052
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C42H77O9P/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/h12,14,18,20,24,26,33,35,40-41,43-44H,3-11,13,15-17,19,21-23,25,27-32,34,36-39H2,1-2H3,(H,46,47)/b14-12-,20-18-,26-24-,35-33-/t40-,41+/m0/s1
InChIKeyOOOJRSKTWRYOTQ-QLQBWXKOSA-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(P-18:0/18:3(6Z,9Z,12Z)) (CHEBI:186170) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-1-enoxy]propan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
LMGP04030041LIPID MAPS
113377762ChemSpider