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CHEBI:185536 - PG(O-18:0/16:1(9Z))

ChEBI IDCHEBI:185536
ChEBI NamePG(O-18:0/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H79O9P
Net Charge0
Average Mass735.037
Monoisotopic Mass734.54617
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C40H79O9P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-46-36-39(37-48-50(44,45)47-35-38(42)34-41)49-40(43)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h14,16,38-39,41-42H,3-13,15,17-37H2,1-2H3,(H,44,45)/b16-14-/t38-,39+/m0/s1
InChIKeyBVJKVBGCVIQQQI-VIGWCXIXSA-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-18:0/16:1(9Z)) (CHEBI:185536) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecoxypropan-2-yl] (Z)-hexadec-9-enoate
Manual XrefsDatabases
LMGP04020072LIPID MAPS
113377701ChemSpider