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CHEBI:43068 - 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-PENT-3-ENOIC ACID

Default Structure
ChEBI IDCHEBI:43068
ChEBI Name2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-PENT-3-ENOIC ACID
Stars
DownloadsMolfile
FormulaC13H18N2O10P2
Net Charge0
Average Mass424.239
Monoisotopic Mass424.04367
SMILES[H]OC(=O)C(=N\C([H])([H])c1c(O[H])c(C([H])([H])[H])nc([H])c1C([H])([H])OP(=O)(O[H])O[H])/C([H])=C(\[H])C([H])([H])P(=O)(O[H])O[H]
InChIInChI=1S/C13H18N2O10P2/c1-8-12(16)10(9(5-14-8)7-25-27(22,23)24)6-15-11(13(17)18)3-2-4-26(19,20)21/h2-3,5,16H,4,6-7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b3-2+,15-11-
InChIKeyVKWJKURKEYQKKW-QDWZKYKZSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-PENT-3-ENOIC ACID (CHEBI:43068) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-PENT-3-ENOIC ACIDPDBeChem
(2Z,3E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-5-phosphonopent-3-enoic acidPDBeChem
Manual XrefsDatabases
HENPDBeChem