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CHEBI:187567 - PG(O-18:0/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:187567
ChEBI NamePG(O-18:0/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H81O9P
Net Charge0
Average Mass785.097
Monoisotopic Mass784.56182
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C44H81O9P/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/h11,13,17,19,22,24,28,30,42-43,45-46H,3-10,12,14-16,18,20-21,23,25-27,29,31-41H2,1-2H3,(H,48,49)/b13-11-,19-17-,24-22-,30-28-/t42-,43+/m0/s1
InChIKeyLEVMYIQXSPKFRM-YWKQESPKSA-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-18:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:187567) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecoxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
LMGP04020071LIPID MAPS
113377700ChemSpider