EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44729 - 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID

Default Structure
ChEBI IDCHEBI:44729
ChEBI Name2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC11H15N2O7P
Net Charge0
Average Mass318.222
Monoisotopic Mass318.06169
SMILES[H]OC(=O)C(=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/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,13-14H,2,4-5H2,1H3,(H,15,16)(H2,17,18,19)
InChIKeyBXUDKFHCAMQSRX-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID (CHEBI:44729) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACIDPDBeChem
2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]prop-2-enoic acidPDBeChem
Manual XrefsDatabases
P1TPDBeChem