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CHEBI:186701 - PON-PE

ChEBI IDCHEBI:186701
ChEBI NamePON-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H58NO9P
Net Charge0
Average Mass607.766
Monoisotopic Mass607.38492
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC=O
InChIInChI=1S/C30H58NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-29(33)37-26-28(27-39-41(35,36)38-25-23-31)40-30(34)22-19-16-13-14-17-20-24-32/h24,28H,2-23,25-27,31H2,1H3,(H,35,36)/t28-/m1/s1
InChIKeyMVAIWYVEWHAGGD-MUUNZHRXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PON-PE (CHEBI:186701) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(9-oxononanoyloxy)propyl] hexadecanoate
Manual XrefsDatabases
LMGP20020028LIPID MAPS
113380847ChemSpider