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CHEBI:228647 - PE 17:0_18:2

ChEBI IDCHEBI:228647
ChEBI NamePE 17:0_18:2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H76NO8P
Net Charge0
Average Mass730.021
Monoisotopic Mass729.53086
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C40H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,38H,3-10,12,14-16,18,20-37,41H2,1-2H3,(H,44,45)/b13-11-,19-17-
InChIKeyUJCJWIHZUHMDIT-OHNCOSGTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) MetaboLights (MTBLS8662)
ChEBI Ontology
Outgoing Relation(s)
PE 17:0_18:2 (CHEBI:228647) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate