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CHEBI:189606 - PE(41:6)

ChEBI IDCHEBI:189606
ChEBI NamePE(41:6)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80NO8P
Net Charge0
Average Mass806.119
Monoisotopic Mass805.56216
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47)55-46(49)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22-23,26,28,32,34,44H,3-4,6,8-10,12,14-16,18,20-21,24-25,27,29-31,33,35-43,47H2,1-2H3,(H,50,51)/b7-5-,13-11-,19-17-,23-22-,28-26-,34-32-/t44-/m1/s1
InChIKeyIMFPBXPIQWOCJJ-AOXDHDBISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090)
heart (BTO:0000562) MetaboLights (MTBLS1887)
liver (BTO:0000759) MetaboLights (MTBLS1887)
serum (BTO:0000133) MetaboLights (MTBLS1887)
ChEBI Ontology
Outgoing Relation(s)
PE(41:6) (CHEBI:189606) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-nonadecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
113375851ChemSpider
LMGP02011148LIPID MAPS