(2E,3E)-4-(2-aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]but-3-enoic acid (Q27464525)

(2E,3E)-4-(2-Aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butenoic acid (English)

19 October 2016

chemical formula

C₁₄H₂₀N₃O₈P

1 reference

stated in

RCSB protein data bank

PDB ligand ID

PPG

16 February 2021

canonical SMILES

CC1=C(C(=C(C=N1)COP(=O)(O)O)CN=C(C=COCCN)C(=O)O)O

1 reference

(2E,3E)-4-(2-Aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butenoic acid (English)

19 October 2016

isomeric SMILES

CC1=C(C(=C(C=N1)COP(=O)(O)O)C\N=C(/C=C/OCCN)\C(=O)O)O

1 reference

(2E,3E)-4-(2-Aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butenoic acid (English)

InChI=1S/C14H20N3O8P/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/h2,4,6,18H,3,5,7-8,15H2,1H3,(H,19,20)(H2,21,22,23)/b4-2+,17-12+

19 October 2016

Identifiers

InChI

1 reference

(2E,3E)-4-(2-Aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butenoic acid (English)

OBCQKAZQAHYUOZ-CALQLVRRSA-N

19 October 2016

InChIKey

1 reference

(2E,3E)-4-(2-Aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butenoic acid (English)

19 October 2016

1 reference

(2E,3E)-4-(2-Aminoethoxy)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl}methyl)imino]-3-butenoic acid (English)

matched by identifier from

19 October 2016

DrugBank ID

DB03287

1 reference

InChIKey

OBCQKAZQAHYUOZ-CALQLVRRSA-N

0 references

0 references

1 reference

1M7Y (English)

19 October 2016

1 reference

1C7O (English)

19 October 2016

1 reference

1CL2 (English)