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CHEBI:185034 - PE(17:2(9Z,12Z)/0:0)

ChEBI IDCHEBI:185034
ChEBI NamePE(17:2(9Z,12Z)/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H42NO7P
Net Charge0
Average Mass463.552
Monoisotopic Mass463.26989
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN
InChIInChI=1S/C22H42NO7P/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/h5-6,8-9,21,24H,2-4,7,10-20,23H2,1H3,(H,26,27)/b6-5-,9-8-/t21-/m1/s1
InChIKeyMTNRBVAOFPGYKP-AMKDCIQSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PE(17:2(9Z,12Z)/0:0) (CHEBI:185034) is a 1-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:29017)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] (9Z,12Z)-heptadeca-9,12-dienoate
Manual XrefsDatabases
113376038ChemSpider
LMGP02050016LIPID MAPS