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CHEBI:185995 - PE(20:5(5Z,8Z,11Z,14Z,17Z)/17:0)

ChEBI IDCHEBI:185995
ChEBI NamePE(20:5(5Z,8Z,11Z,14Z,17Z)/17:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H74NO8P
Net Charge0
Average Mass752.027
Monoisotopic Mass751.51520
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCC
InChIInChI=1S/C42H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43)51-42(45)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21,23,26,28,40H,3-4,6,8-10,12,14-16,18,20,22,24-25,27,29-39,43H2,1-2H3,(H,46,47)/b7-5-,13-11-,19-17-,23-21-,28-26-/t40-/m1/s1
InChIKeyARYYDBRIVTVIKR-PWZVZSKBSA-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(20:5(5Z,8Z,11Z,14Z,17Z)/17:0) (CHEBI:185995) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-heptadecanoyloxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
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113375754ChemSpider