EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:184623 - PE(24:0/24:1(15Z))

ChEBI IDCHEBI:184623
ChEBI NamePE(24:0/24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H104NO8P
Net Charge0
Average Mass914.388
Monoisotopic Mass913.74996
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C53H104NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54)62-53(56)46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,51H,3-17,19,21-50,54H2,1-2H3,(H,57,58)/b20-18-/t51-/m1/s1
InChIKeyMTYZXHQAIRJTJM-PVKRUZGSSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
PE(24:0/24:1(15Z)) (CHEBI:184623) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] tetracosanoate
Manual XrefsDatabases
24769180ChemSpider
HMDB0009740HMDB