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CHEBI:230115 - PE(15:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))

ChEBI IDCHEBI:230115
ChEBI NamePE(15:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H70NO9P
Net Charge0
Average Mass739.972
Monoisotopic Mass739.47882
SMILESCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](O)CC
InChIInChI=1S/C40H70NO9P/c1-3-5-6-7-8-9-10-16-19-22-25-28-31-39(43)47-35-38(36-49-51(45,46)48-34-33-41)50-40(44)32-29-26-23-20-17-14-12-11-13-15-18-21-24-27-30-37(42)4-2/h12-15,20-21,23-24,27,30,37-38,42H,3-11,16-19,22,25-26,28-29,31-36,41H2,1-2H3,(H,45,46)/b14-12-,15-13-,23-20-,24-21-,30-27+/t37-,38-/m1/s1
InChIKeyJBRKMTNKQNNZTQ-IPHGRMLOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(15:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) (CHEBI:230115) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,16E,18R)-18-hydroxyicosa-5,8,11,14,16-pentaenoate
Manual XrefsDatabases
117217274ChemSpider
HMDB0260838HMDB