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CHEBI:168242 - PE(13:0/0:0)

ChEBI IDCHEBI:168242
ChEBI NamePE(13:0/0:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H38NO7P
Net Charge0
Average Mass411.476
Monoisotopic Mass411.23859
SMILESCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCCN
InChIInChI=1S/C18H38NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-18(21)24-15-17(20)16-26-27(22,23)25-14-13-19/h17,20H,2-16,19H2,1H3,(H,22,23)/t17-/m1/s1
InChIKeyIJTWJFQIBBDJJI-QGZVFWFLSA-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(13:0/0:0) (CHEBI:168242) is a 1-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:29017)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] tridecanoate
Manual XrefsDatabases
LMGP02050007LIPID MAPS
24823077ChemSpider