Trifluoro-thiamin phosphate (Q27093290)

TRIFLUORO-THIAMIN PHOSPHATE (English)

19 October 2016

chemical formula

C₁₂H₁₃F₃N₄O₄PS⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C(F)(F)F)CCOP(=O)([O-])[O-]

1 reference

TRIFLUORO-THIAMIN PHOSPHATE (English)

InChI=1S/C12H14F3N4O4PS/c1-7-9(2-3-23-24(20,21)22)25-6-19(7)5-8-4-17-11(12(13,14)15)18-10(8)16/h4,6H,2-3,5H2,1H3,(H3-,16,17,18,20,21,22)/p-1

19 October 2016

Identifiers

InChI

1 reference

TRIFLUORO-THIAMIN PHOSPHATE (English)

ZIBIECXVPMYJCV-UHFFFAOYSA-M

19 October 2016

InChIKey

1 reference

TRIFLUORO-THIAMIN PHOSPHATE (English)

19 October 2016

1 reference

2-(3-{[4-Amino-2-(trifluoromethyl)-5-pyrimidinyl]methyl}-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl phosphate (English)

19 October 2016

2 references

TRIFLUORO-THIAMIN PHOSPHATE (English)

matched by identifier from

19 October 2016

InChIKey

ZIBIECXVPMYJCV-UHFFFAOYSA-M

1 reference

1 reference

matched by identifier from

InChIKey

ZIBIECXVPMYJCV-UHFFFAOYSA-M

0 references

0 references

1 reference

1G4T (English)