Viewing Compound With Structures

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Compound Report Overview

Compound Name: S-(2-HYDROXY-5-NITROBENZYL)-6-THIOGUANOSINE
Compound Identifier: 704610
Mol Structure 2D: 704610
Molecular Weight: 450
Formula: C17 H18 N6 O7 S
Development Status: Biochemical standard
SMILES: Nc1nc(SCc2cc(ccc2O)[N+](=O)[O-])c3ncn(C4OC(CO)C(O)C4O)c3n1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222172D 0 0.00000 0.00000 0^^ 31 34 0 1 0 999 V2000^ 1.3417 0.0208 0.0000 N 0 0 3 0 0 0 0 0 0^ 0.7042 -0.5375 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1667 -0.1792 0.0000 C 0 0 1 0 0 0 0 0 0^ -0.0083 -0.0875 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.6917 -1.3417 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.2000 0.7000 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.7917 0.3625 0.0000 C 0 0 1 0 0 0 0 0 0^ 1.0167 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.7250 -1.3167 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.4792 -0.9417 0.0000 O 0 0 0 0 0 0 0 0 0^ -0.7000 -0.4667 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.5458 2.0833 0.0000 N 0 3 0 0 0 0 0 0 0^ -0.0208 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.5167 -0.0750 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.3125 -0.8917 0.0000 C 0 0 1 0 0 0 0 0 0^ -3.5458 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.8583 -0.0167 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.4000 -0.0417 0.0000 S 0 0 0 0 0 0 0 0 0^ -2.8333 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2458 2.5083 0.0000 O 0 5 0 0 0 0 0 0 0^ -2.7958 2.4625 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.5958 -0.4000 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.1458 -0.4417 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.2958 0.8583 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.7167 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0^ -4.2958 0.0375 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.0458 -2.5750 0.0000 N 0 0 0 0 0 0 0 0 0^ 4.2792 0.2458 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.8417 -1.5167 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6083 -1.2167 0.0000 O 0 0 0 0 0 0 0 0 0^ 3.5875 -2.3000 0.0000 O 0 0 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 1 0 0^ 4 2 2 0 0 0^ 5 2 1 0 0 0^ 6 8 2 0 0 0^ 7 3 1 0 0 0^ 8 1 1 0 0 0^ 9 13 1 0 0 0^ 10 3 1 0 0 0^ 11 4 1 0 0 0^ 12 16 1 0 0 0^ 13 5 2 0 0 0^ 14 7 1 0 0 0^ 15 10 1 0 0 0^ 16 19 2 0 0 0^ 17 23 1 0 0 0^ 18 11 1 0 0 0^ 19 17 1 0 0 0^ 20 12 1 0 0 0^ 21 12 2 0 0 0^ 22 17 2 0 0 0^ 23 18 1 0 0 0^ 24 26 2 0 0 0^ 7 25 1 6 0 0^ 26 22 1 0 0 0^ 27 13 1 0 0 0^ 14 28 1 6 0 0^ 15 29 1 1 0 0^ 30 22 1 0 0 0^ 31 29 1 0 0 0^ 6 4 1 0 0 0^ 14 15 1 0 0 0^ 9 11 2 0 0 0^ 24 16 1 0 0 0^M CHG 2 12 1 20 -1^M END^^
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