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CHEBI:185851 - PG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:185851
ChEBI NamePG(P-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H83O9P
Net Charge0
Average Mass835.157
Monoisotopic Mass834.57747
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\CCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C48H83O9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-48(51)57-47(45-56-58(52,53)55-43-46(50)42-49)44-54-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23-24,28,30,34,36,39,41,46-47,49-50H,3-4,6,8-10,12,14-16,18,20-22,25-27,29,31-33,35,37-38,40,42-45H2,1-2H3,(H,52,53)/b7-5-,13-11-,19-17-,24-23-,30-28-,36-34-,41-39-/t46-,47+/m0/s1
InChIKeyMSIBTFACYQMLAF-ASAQPUDXSA-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-20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:185851) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-icos-1-enoxy]propan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
113377812ChemSpider
LMGP04030093LIPID MAPS