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CHEBI:43054 - (2E)-2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-PHOSPHONOPENT-2-ENOIC ACID

Default Structure
ChEBI IDCHEBI:43054
ChEBI Name(2E)-2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-PHOSPHONOPENT-2-ENOIC ACID
Stars
DownloadsMolfile
FormulaC13H20N2O10P2
Net Charge0
Average Mass426.255
Monoisotopic Mass426.05932
SMILES[H]OC(=O)/C(=C(/[H])C([H])([H])C([H])([H])P(=O)(O[H])O[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/C13H20N2O10P2/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/h3,5,15-16H,2,4,6-7H2,1H3,(H,17,18)(H2,19,20,21)(H2,22,23,24)/b11-3+
InChIKeyTVSPSLFYIKMGSC-QDEBKDIKSA-N
ChEBI Ontology
Outgoing Relation(s)
(2E)-2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-PHOSPHONOPENT-2-ENOIC ACID (CHEBI:43054) is a unclassifieds (CHEBI:27189)
Synonym  Source
(2E)-2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-PHOSPHONOPENT-2-ENOIC ACIDPDBeChem
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