EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187456 - PE(P-16:0/15:1(9Z))

ChEBI IDCHEBI:187456
ChEBI NamePE(P-16:0/15:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H70NO7P
Net Charge0
Average Mass659.930
Monoisotopic Mass659.48899
SMILESCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C36H70NO7P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-31-41-33-35(34-43-45(39,40)42-32-30-37)44-36(38)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h12,14,28,31,35H,3-11,13,15-27,29-30,32-34,37H2,1-2H3,(H,39,40)/b14-12-,31-28-/t35-/m1/s1
InChIKeyYGXCGMXZNIDWDO-NKZBRUQTSA-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(P-16:0/15:1(9Z)) (CHEBI:187456) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (Z)-pentadec-9-enoate
Manual XrefsDatabases
LMGP02030012LIPID MAPS
113375986ChemSpider