EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196661 - PE(12:0/17:1(9Z))

ChEBI IDCHEBI:196661
ChEBI NamePE(12:0/17:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H66NO8P
Net Charge0
Average Mass647.875
Monoisotopic Mass647.45260
SMILESCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C34H66NO8P/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-34(37)43-32(31-42-44(38,39)41-29-28-35)30-40-33(36)26-24-22-20-18-12-10-8-6-4-2/h14-15,32H,3-13,16-31,35H2,1-2H3,(H,38,39)/b15-14-/t32-/m1/s1
InChIKeyYVWZCCCSHPPZRL-OVHUZXDGSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(12:0/17:1(9Z)) (CHEBI:196661) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (Z)-heptadec-9-enoate
Manual XrefsDatabases
113375418ChemSpider
LMGP02010364LIPID MAPS