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CHEBI:187551 - PE(12:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:187551
ChEBI NamePE(12:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H64NO8P
Net Charge0
Average Mass681.892
Monoisotopic Mass681.43695
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C37H64NO8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,22,24,35H,3-4,6,8-10,12,14,17,20-21,23,25-34,38H2,1-2H3,(H,41,42)/b7-5-,13-11-,16-15-,19-18-,24-22-/t35-/m1/s1
InChIKeyZGXMBNNSOJZZFB-WFRXKPIESA-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(12:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:187551) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
113375429ChemSpider
LMGP02010376LIPID MAPS