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CHEBI:42243 - (1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:42243
ChEBI Name(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC10H16N2O8P2
Net Charge0
Average Mass354.192
Monoisotopic Mass354.03819
SMILES[H]Oc1c(C([H])([H])[H])nc([H])c(C([H])([H])OP(=O)(O[H])O[H])c1/C([H])=N/[C@]([H])(C([H])([H])[H])P(=O)(O[H])O[H]
InChIInChI=1S/C10H16N2O8P2/c1-6-10(13)9(4-12-7(2)21(14,15)16)8(3-11-6)5-20-22(17,18)19/h3-4,7,13H,5H2,1-2H3,(H2,14,15,16)(H2,17,18,19)/b12-4+/t7-/m0/s1
InChIKeyWCUQNAKNQCJAKL-MNOXCQKJSA-N
ChEBI Ontology
Outgoing Relation(s)
(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACID (CHEBI:42243) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S)-1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]ETHYLPHOSPHONIC ACIDPDBeChem
[(1S)-1-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}ethyl]phosphonic acidPDBeChem
Manual XrefsDatabases
EPCPDBeChem