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CHEBI:45055 - 4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACID

Default Structure
ChEBI IDCHEBI:45055
ChEBI Name4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACID
Stars
DownloadsMolfile
FormulaC14H22N3O8P
Net Charge0
Average Mass391.317
Monoisotopic Mass391.11445
SMILES[H]OC(=O)[C@]([H])(/C([H])=C(\[H])OC([H])([H])C([H])([H])N([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/C14H22N3O8P/c1-9-13(18)11(10(6-16-9)8-25-26(21,22)23)7-17-12(14(19)20)2-4-24-5-3-15/h2,4,6,12,17-18H,3,5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/b4-2+/t12-/m0/s1
InChIKeyZYLUFTNLRAGXLR-KMOQFTEPSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACID (CHEBI:45055) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]but-3-enoic acidPDBeChem
4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-BUT-3-ENOIC ACIDPDBeChem
Manual XrefsDatabases
PPGPDBeChem