EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:187138 - 1-(2-methoxy-18Z-pentacosenyl)-sn-glycero-3-phosphoethanolamine

Default Structure
ChEBI IDCHEBI:187138
ChEBI Name1-(2-methoxy-18Z-pentacosenyl)-sn-glycero-3-phosphoethanolamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H64NO7P
Net Charge0
Average Mass593.827
Monoisotopic Mass593.44204
SMILESCCCCCC/C=C\CCCCCCCCCCCCCCCC(COC[C@@H](O)COP(=O)(O)OCCN)OC
InChIInChI=1S/C31H64NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(36-2)29-37-27-30(33)28-39-40(34,35)38-26-25-32/h8-9,30-31,33H,3-7,10-29,32H2,1-2H3,(H,34,35)/b9-8-/t30-,31?/m1/s1
InChIKeyMLKNDZMZPJUFPC-GXCYBOLESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1-(2-methoxy-18Z-pentacosenyl)-sn-glycero-3-phosphoethanolamine (CHEBI:187138) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
2-aminoethyl [(2R)-2-hydroxy-3-[(Z)-2-methoxypentacos-18-enoxy]propyl] hydrogen phosphate
Manual XrefsDatabases
113376066ChemSpider
LMGP02060030LIPID MAPS