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CHEBI:182998 - PE(17:1(9Z)/0:0)

ChEBI IDCHEBI:182998
ChEBI NamePE(17:1(9Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H44NO7P
Net Charge0
Average Mass465.568
Monoisotopic Mass465.28554
SMILESCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN
InChIInChI=1S/C22H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h8-9,21,24H,2-7,10-20,23H2,1H3,(H,26,27)/b9-8-/t21-/m1/s1
InChIKeyLNJNONCNASQZOB-HEDKFQSOSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) Esophagus (BTO:0000959) MetaboLights (MTBLS3014)
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PE(17:1(9Z)/0:0) (CHEBI:182998) is a 1-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:29017)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (Z)-heptadec-9-enoate
Manual XrefsDatabases
24823078ChemSpider
LMGP02050008LIPID MAPS