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CHEBI:187030 - PE(O-16:0/18:2(9Z,12Z))

ChEBI IDCHEBI:187030
ChEBI NamePE(O-16:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H76NO7P
Net Charge0
Average Mass702.011
Monoisotopic Mass701.53594
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C39H76NO7P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-39(41)47-38(37-46-48(42,43)45-35-33-40)36-44-34-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19,38H,3-10,12,14-16,18,20-37,40H2,1-2H3,(H,42,43)/b13-11-,19-17-/t38-/m1/s1
InChIKeyJHPMSVBZQKOREU-YQIUVMGYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PE(O-16:0/18:2(9Z,12Z)) (CHEBI:187030) is a alkylacylglycerophosphoethanolamine (CHEBI:52578)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
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