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CHEBI:168574 - PE(12:0/0:0)

ChEBI IDCHEBI:168574
ChEBI NamePE(12:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H36NO7P
Net Charge0
Average Mass397.449
Monoisotopic Mass397.22294
SMILESCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN
InChIInChI=1S/C17H36NO7P/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-16(19)15-25-26(21,22)24-13-12-18/h16,19H,2-15,18H2,1H3,(H,21,22)/t16-/m1/s1
InChIKeyIZDRGPDUDLWAGR-MRXNPFEDSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PE(12:0/0:0) (CHEBI:168574) is a 1-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:29017)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] dodecanoate
Manual XrefsDatabases
LMGP02050005LIPID MAPS
114447ChemSpider
Registry NumbersSources
CAS:120578-22-5ChemIDplus