EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184251 - PE(18:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH))

ChEBI IDCHEBI:184251
ChEBI NamePE(18:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H78NO9P
Net Charge0
Average Mass808.091
Monoisotopic Mass807.54142
SMILESCC/C=C\C/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C45H78NO9P/c1-3-5-7-9-11-12-13-14-15-16-17-21-24-28-32-36-44(48)52-40-43(41-54-56(50,51)53-39-38-46)55-45(49)37-33-29-25-22-19-18-20-23-27-31-35-42(47)34-30-26-10-8-6-4-2/h6,8,18-19,23,25-27,29-31,35,42-43,47H,3-5,7,9-17,20-22,24,28,32-34,36-41,46H2,1-2H3,(H,50,51)/b8-6-,19-18-,27-23-,29-25-,30-26-,35-31+/t42?,43-/m1/s1
InChIKeyWTJFOADFPCHAKT-BDGBNODMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
PE(18:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)(14OH)) (CHEBI:184251) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (4Z,7Z,10Z,12E,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate
Manual XrefsDatabases
LMGP20020004LIPID MAPS
113380823ChemSpider