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CHEBI:187368 - PE(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))

ChEBI IDCHEBI:187368
ChEBI NamePE(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H68NO8P
Net Charge0
Average Mass721.957
Monoisotopic Mass721.46825
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C40H68NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-14-12-10-8-6-4-2/h5,7,11,13,16-17,19-20,22-23,27,29,38H,3-4,6,8-10,12,14-15,18,21,24-26,28,30-37,41H2,1-2H3,(H,44,45)/b7-5-,13-11-,17-16-,20-19-,23-22-,29-27-/t38-/m1/s1
InChIKeyLDMXPCTZIQUOTM-FHKNFDDZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PE(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) (CHEBI:187368) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tridecanoyloxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
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113375455ChemSpider
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