(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}-4-(methylsulfanyl)butanoic acid (Q27464479)

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

19 October 2016

chemical formula

C₁₃H₁₉N₂O₇PS

1 reference

stated in

RCSB protein data bank

PDB ligand ID

PM9

16 February 2021

canonical SMILES

CC1=C(C(=CN=C(CCSC)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}-4-(methylsulfanyl)butanoic acid (English)

19 October 2016

isomeric SMILES

CC1=C(\C(=C/N=C(\CCSC)/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}-4-(methylsulfanyl)butanoic acid (English)

InChI=1S/C13H19N2O7PS/c1-8-12(16)10(6-15-11(13(17)18)3-4-24-2)9(5-14-8)7-22-23(19,20)21/h5-6,14,16H,3-4,7H2,1-2H3,(H,17,18)(H2,19,20,21)/b10-6-,15-11+

19 October 2016

Identifiers

InChI

1 reference

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

UNHRYMFMFMQCNK-JNVWRRHBSA-N

19 October 2016

InChIKey

1 reference

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

19 October 2016

1 reference

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

19 October 2016

0 references

1 reference

2VLH (English)