EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196754 - PE(17:0/16:1(9Z))

ChEBI IDCHEBI:196754
ChEBI NamePE(17:0/16:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H74NO8P
Net Charge0
Average Mass703.983
Monoisotopic Mass703.51520
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C38H74NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39)47-38(41)31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,36H,3-13,15,17-35,39H2,1-2H3,(H,42,43)/b16-14-/t36-/m1/s1
InChIKeyHPHKBIBKNIIZJX-ZYODFBQNSA-N
ChEBI Ontology
Outgoing Relation(s)
PE(17:0/16:1(9Z)) (CHEBI:196754) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-hexadec-9-enoyl]oxypropyl] heptadecanoate
Manual XrefsDatabases
59695626ChemSpider
LMGP02010543LIPID MAPS