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CHEBI:186449 - PG(O-16:0/17:2(9Z,12Z))

ChEBI IDCHEBI:186449
ChEBI NamePG(O-16:0/17:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H75O9P
Net Charge0
Average Mass718.994
Monoisotopic Mass718.51487
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C39H75O9P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-39(42)48-38(36-47-49(43,44)46-34-37(41)33-40)35-45-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,37-38,40-41H,3-8,10,12-14,16,18-36H2,1-2H3,(H,43,44)/b11-9-,17-15-/t37-,38+/m0/s1
InChIKeyLIBLKFXXSFBDCF-RZTQZAHISA-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-16:0/17:2(9Z,12Z)) (CHEBI:186449) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
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