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CHEBI:230380 - PE(14:0/20:3(8Z,11Z,14Z)-2OH(5,6))

ChEBI IDCHEBI:230380
ChEBI NamePE(14:0/20:3(8Z,11Z,14Z)-2OH(5,6))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H72NO10P
Net Charge0
Average Mass745.976
Monoisotopic Mass745.48938
SMILESCCCCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C39H72NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-27-36(41)37(42)28-26-30-39(44)50-35(34-49-51(45,46)48-32-31-40)33-47-38(43)29-25-23-21-19-16-14-12-10-8-6-4-2/h11,13,17-18,22,24,35-37,41-42H,3-10,12,14-16,19-21,23,25-34,40H2,1-2H3,(H,45,46)/b13-11-,18-17-,24-22-/t35-,36?,37?/m1/s1
InChIKeyPYRKWSMKMCMXDK-GARBTRAOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(14:0/20:3(8Z,11Z,14Z)-2OH(5,6)) (CHEBI:230380) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoate
Manual XrefsDatabases
117217086ChemSpider
HMDB0260612HMDB