(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid (Q27464469)

(2E)-2-{[(Z)-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid (English)

19 October 2016

chemical formula

C₁₁H₁₅N₂O₇P

1 reference

stated in

RCSB protein data bank

PDB ligand ID

PLI

16 February 2021

canonical SMILES

CC1=C(C(=CN=C(C)C(=O)O)C(=CN1)COP(=O)(O)O)O

1 reference

(2E)-2-{[(Z)-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid (English)

19 October 2016

isomeric SMILES

CC1=C(/C(=C\N=C(/C)\C(=O)O)/C(=CN1)COP(=O)(O)O)O

1 reference

(2E)-2-{[(Z)-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid (English)

InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,12,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b9-4-,13-7+

19 October 2016

Identifiers

InChI

1 reference

(2E)-2-{[(Z)-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid (English)

ADVVJYVQWSKPQC-ZAQQZXBOSA-N

19 October 2016

InChIKey

1 reference

(2E)-2-{[(Z)-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid (English)

19 October 2016

1 reference

(2E)-2-{[(Z)-{3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4(1H)-pyridinylidene}methyl]imino}propanoic acid (English)

19 October 2016

0 references

1 reference

2VLF (English)

19 October 2016

1 reference

2YCT (English)