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CHEBI:186045 - PG(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:186045
ChEBI NamePG(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H75O9P
Net Charge0
Average Mass779.049
Monoisotopic Mass778.51487
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C44H75O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-44(47)53-43(41-52-54(48,49)51-39-42(46)38-45)40-50-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,24,26,30,32,35,37,42-43,45-46H,3-4,6,8-10,12,14-16,18,20,23,25,27-29,31,33-34,36,38-41H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,22-21-,26-24-,32-30-,37-35-/t42-,43+/m0/s1
InChIKeyLDLBYIJBBUCSIH-XOLIUOILSA-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-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:186045) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
LMGP04030092LIPID MAPS
113377811ChemSpider