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CHEBI:187078 - PE(14:0/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:187078
ChEBI NamePE(14:0/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H70NO8P
Net Charge0
Average Mass711.962
Monoisotopic Mass711.48390
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C39H70NO8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-14-12-10-8-6-4-2/h11,13,16-17,19-20,24,26,37H,3-10,12,14-15,18,21-23,25,27-36,40H2,1-2H3,(H,43,44)/b13-11-,17-16-,20-19-,26-24-/t37-/m1/s1
InChIKeyPCNMLNCECLPPIO-CIAQOEIVSA-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(14:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:187078) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual XrefsDatabases
24768343ChemSpider
HMDB0008838HMDB
LMGP02011242LIPID MAPS