EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:180841 - LysoPE(0:0/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:180841
ChEBI NameLysoPE(0:0/18:4(6Z,9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H40NO7P
Net Charge0
Average Mass473.547
Monoisotopic Mass473.25424
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
InChIInChI=1S/C23H40NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(26)31-22(20-25)21-30-32(27,28)29-19-18-24/h3-4,6-7,9-10,12-13,22,25H,2,5,8,11,14-21,24H2,1H3,(H,27,28)/b4-3-,7-6-,10-9-,13-12-/t22-/m1/s1
InChIKeySYKRNJVTCMUCGF-JVBHARQXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
LysoPE(0:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:180841) is a 2-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:28936)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate
Manual XrefsDatabases
LMGP02050044LIPID MAPS
24769361ChemSpider
HMDB0011480HMDB