EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231060 - Dmap-ethyl-paf

ChEBI IDCHEBI:231060
ChEBI NameDmap-ethyl-paf
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H57N2O6P
Net Charge0
Average Mass572.768
Monoisotopic Mass572.39542
SMILESCCCCCCCCCCCCCCCCOCC(COP([O-])OCC[N+]1=CC(=O)C(N(C)C)C=C1)OCC
InChIInChI=1S/C30H57N2O6P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-35-26-28(36-6-2)27-38-39(34)37-24-22-32-21-20-29(31(3)4)30(33)25-32/h20-21,25,28-29H,5-19,22-24,26-27H2,1-4H3
InChIKeyFTTDBZNMICPROO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Dmap-ethyl-paf (CHEBI:231060) is a glycerol ether (CHEBI:24353)
IUPAC Name 
2-[4-(dimethylamino)-3-oxo-4H-pyridin-1-ium-1-yl]ethyl (2-ethoxy-3-hexadecoxypropyl) phosphite
Manual XrefsDatabases
HMDB0251534HMDB
2300111ChemSpider