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CHEBI:186312 - PE(8:0/8:0)

ChEBI IDCHEBI:186312
ChEBI NamePE(8:0/8:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H42NO8P
Net Charge0
Average Mass467.540
Monoisotopic Mass467.26480
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC
InChIInChI=1S/C21H42NO8P/c1-3-5-7-9-11-13-20(23)27-17-19(18-29-31(25,26)28-16-15-22)30-21(24)14-12-10-8-6-4-2/h19H,3-18,22H2,1-2H3,(H,25,26)/t19-/m1/s1
InChIKeyUNACBKDVIYEXSL-LJQANCHMSA-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(8:0/8:0) (CHEBI:186312) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-octanoyloxypropyl] octanoate
Manual XrefsDatabases
G8CPDBeChem
LMGP02010102LIPID MAPS
7825754ChemSpider