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CHEBI:187542 - PG(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:187542
ChEBI NamePG(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H77O9P
Net Charge0
Average Mass781.065
Monoisotopic Mass780.53052
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C44H77O9P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-44(47)53-43(41-52-54(48,49)51-39-42(46)38-45)40-50-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,28,30,35,37,42-43,45-46H,3-4,6,8-10,12,14-16,18,20-21,23,25-27,29,31-34,36,38-41H2,1-2H3,(H,48,49)/b7-5-,13-11-,19-17-,24-22-,30-28-,37-35-/t42-,43+/m0/s1
InChIKeyNXUCHLQPXYUADK-IEIHOVPZSA-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-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:187542) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-1-enoxy]propan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGP04030050LIPID MAPS
113377771ChemSpider