EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44637 - (4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE

Default Structure
ChEBI IDCHEBI:44637
ChEBI Name(4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC12H22N3O5P
Net Charge0
Average Mass319.298
Monoisotopic Mass319.12971
SMILES[H]Oc1c(C([H])([H])[H])nc([H])c(C([H])([H])OP(=O)(O[H])O[H])c1C([H])([H])N([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[H]
InChIInChI=1S/C12H22N3O5P/c1-9-12(16)11(7-14-5-3-2-4-13)10(6-15-9)8-20-21(17,18)19/h6,14,16H,2-5,7-8,13H2,1H3,(H2,17,18,19)
InChIKeyMXDZELCJRJAUEI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
(4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE (CHEBI:44637) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(4-{[(4-aminobutyl)amino]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphatePDBeChem
(4-{[(4-AMINOBUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATEPDBeChem
Manual XrefsDatabases
P3TPDBeChem