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CHEBI:186465 - PKOHA-PE

ChEBI IDCHEBI:186465
ChEBI NamePKOHA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H50NO10P
Net Charge0
Average Mass591.679
Monoisotopic Mass591.31723
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC(=O)/C=C/C=O
InChIInChI=1S/C28H50NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-27(32)36-23-26(24-38-40(34,35)37-22-20-29)39-28(33)19-18-25(31)16-15-21-30/h15-16,21,26H,2-14,17-20,22-24,29H2,1H3,(H,34,35)/b16-15+/t26-/m1/s1
InChIKeyUWNIXJPJEINFAM-ZSNJSTEGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PKOHA-PE (CHEBI:186465) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-4,7-dioxohept-5-enoyl]oxypropyl] hexadecanoate
Manual XrefsDatabases
LMGP20020018LIPID MAPS
113380837ChemSpider