ademetionine butanedisulfonate (Q27275216)

UNII-C5BTS0548U component TYXBLACMHQBEEW-DUCGDFACSA-N (English)

14 October 2016

chemical formula

C₁₉H₃₂N₆O₁₁S₃

1 reference

UNII-C5BTS0548U component TYXBLACMHQBEEW-DUCGDFACSA-N (English)

14 October 2016

canonical SMILES

C[S+](CCC(C(=O)[O-])N)CC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.C(CCS(=O)(=O)O)CS(=O)(=O)O

1 reference

UNII-C5BTS0548U component TYXBLACMHQBEEW-DUCGDFACSA-N (English)

14 October 2016

isomeric SMILES

C[S+](CC[C@@H](C(=O)[O-])N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)O.C(CCS(=O)(=O)O)CS(=O)(=O)O

1 reference

UNII-C5BTS0548U component TYXBLACMHQBEEW-DUCGDFACSA-N (English)

InChI=1S/C15H22N6O5S.C4H10O6S2/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;5-11(6,7)3-1-2-4-12(8,9)10/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1-4H2,(H,5,6,7)(H,8,9,10)/t7-,8+,10+,11+,14+,27?;/m0./s1

14 October 2016

Identifiers

InChI

1 reference

UNII-C5BTS0548U component TYXBLACMHQBEEW-DUCGDFACSA-N (English)

14 October 2016

1 reference

Global Substance Registration System

UNII-C5BTS0548U component TYXBLACMHQBEEW-DUCGDFACSA-N (English)

14 October 2016

1 reference

UNII

C5BTS0548U

ademetionine butanedisulfonate (English)

14 October 2016

1 reference

ADEMETIONINE BUTANEDISULFONATE (English)

14 October 2016

2 references

UNII-C5BTS0548U component TYXBLACMHQBEEW-DUCGDFACSA-N (English)

matched by identifier from

14 October 2016

matched by identifier from

118989532

1 reference

Global Substance Registration System

1 reference

2 references

UNII

C5BTS0548U

ademetionine butanedisulfonate (English)

matched by identifier from

14 October 2016