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CHEBI:186835 - PE(O-18:0/13:0)

ChEBI IDCHEBI:186835
ChEBI NamePE(O-18:0/13:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H74NO7P
Net Charge0
Average Mass663.962
Monoisotopic Mass663.52029
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC
InChIInChI=1S/C36H74NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-31-41-33-35(34-43-45(39,40)42-32-30-37)44-36(38)29-27-25-23-21-14-12-10-8-6-4-2/h35H,3-34,37H2,1-2H3,(H,39,40)/t35-/m1/s1
InChIKeyUNVVBZCYZBRZSQ-PGUFJCEWSA-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-18:0/13:0) (CHEBI:186835) is a alkylacylglycerophosphoethanolamine (CHEBI:52578)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecoxypropan-2-yl] tridecanoate
Manual XrefsDatabases
LMGP02020039LIPID MAPS
113375918ChemSpider