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CHEBI:231151 - PE(24:1(15Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

ChEBI IDCHEBI:231151
ChEBI NamePE(24:1(15Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H88NO10P
Net Charge0
Average Mass882.214
Monoisotopic Mass881.61458
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C49H88NO10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-33-39-48(53)57-43-47(44-59-61(55,56)58-42-41-50)60-49(54)40-34-38-46(52)37-32-29-28-31-36-45(51)35-30-26-10-8-6-4-2/h14-15,26,28-32,36-37,45-47,51-52H,3-13,16-25,27,33-35,38-44,50H2,1-2H3,(H,55,56)/b15-14-,29-28+,30-26-,36-31+,37-32-/t45-,46-,47+/m0/s1
InChIKeyKCLFIQFMMKZOQL-SUXKOOQMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(24:1(15Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (CHEBI:231151) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxypropyl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
HMDB0284582HMDB