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CHEBI:39891 - {3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-PROPYL}-PHOSPHONIC ACID

Default Structure
ChEBI IDCHEBI:39891
ChEBI Name{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-PROPYL}-PHOSPHONIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC11H20N2O9P2
Net Charge0
Average Mass386.234
Monoisotopic Mass386.06440
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])(OP(=O)(O[H])O[H])C([H])([H])[H]
InChIInChI=1S/C11H20N2O9P2/c1-7(22-24(18,19)20)3-12-5-10-9(6-21-23(15,16)17)4-13-8(2)11(10)14/h4,7,12,14H,3,5-6H2,1-2H3,(H2,15,16,17)(H2,18,19,20)/t7-/m1/s1
InChIKeyJMZWWHLIKAYMPJ-SSDOTTSWSA-N
ChEBI Ontology
Outgoing Relation(s)
{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-PROPYL}-PHOSPHONIC ACID (CHEBI:39891) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-1-methylethyl dihydrogen phosphatePDBeChem
{3-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-2-METHYL-PROPYL}-PHOSPHONIC ACIDPDBeChem
Manual XrefsDatabases
33PPDBeChem