(Q27103747)

thymidine 5'-[3-(2-deoxy-D-hexo-3,4-diulopyranosyl) dihydrogen diphosphate] (English)

5 October 2016

chemical formula

C₁₆H₂₂N₂O₁₄P₂

1 reference

thymidine 5'-[3-(2-deoxy-D-hexo-3,4-diulopyranosyl) dihydrogen diphosphate] (English)

5 October 2016

canonical SMILES

CC1C(=O)C(=O)CC(O1)OP(=O)(O)OP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O

1 reference

thymidine 5'-[3-(2-deoxy-D-hexo-3,4-diulopyranosyl) dihydrogen diphosphate] (English)

5 October 2016

isomeric SMILES

C[C@@H]1C(=O)C(=O)CC(O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O

1 reference

thymidine 5'-[3-(2-deoxy-D-hexo-3,4-diulopyranosyl) dihydrogen diphosphate] (English)

InChI=1S/C16H22N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-9,11-13,19H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9+,11-,12-,13?/m1/s1

5 October 2016

Identifiers

InChI

1 reference

thymidine 5'-[3-(2-deoxy-D-hexo-3,4-diulopyranosyl) dihydrogen diphosphate] (English)

FHKRUUVTZNTHKJ-NRNNPPJOSA-N

5 October 2016

InChIKey

2 references

thymidine 5'-[3-(2-deoxy-D-hexo-3,4-diulopyranosyl) dihydrogen diphosphate] (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5'-O-{Hydroxy[(hydroxy{[(6R)-6-methyl-4,5-dioxotetrahydro-2H-pyran-2-yl]oxy}phosphoryl)oxy]phosphoryl}thymidine (English)

5 October 2016

1 reference

thymidine 5'-[3-(2-deoxy-D-hexo-3,4-diulopyranosyl) dihydrogen diphosphate] (English)

5 October 2016

ChEBI ID

28511

mapping relation type

1 reference