EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44966 - 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID

Default Structure
ChEBI IDCHEBI:44966
ChEBI Name4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC12H19N2O7P
Net Charge0
Average Mass334.265
Monoisotopic Mass334.09299
SMILES[H]OC(=O)C([H])([H])C([H])([H])C([H])([H])N([H])C([H])([H])c1c(O[H])c(C([H])([H])[H])nc([H])c1C([H])([H])OP(=O)(O[H])O[H]
InChIInChI=1S/C12H19N2O7P/c1-8-12(17)10(6-13-4-2-3-11(15)16)9(5-14-8)7-21-22(18,19)20/h5,13,17H,2-4,6-7H2,1H3,(H,15,16)(H2,18,19,20)
InChIKeyDOHWOHSLOVXAFH-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACID (CHEBI:44966) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]butanoic acidPDBeChem
4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]BUTANOIC ACIDPDBeChem
Manual XrefsDatabases
PLZPDBeChem