Viewing Compound With Structures

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Compound Report Overview

Compound Name: ADP-BETA-S, LITHIUM
Compound Identifier: 704314
Mol Structure 2D: 704314
Molecular Weight: 461
Formula: C10 H12 N5 O9 P2 S . 3 Li
Development Status: Biochemical standard
SMILES: [Li+].[Li+].[Li+].Nc1ncnc2n(cnc12)C3OC(COP(=O)([O-])OP(=S)([O-])[O-])C(O)C3O
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222032D 0 0.00000 0.00000 0^^ 30 29 0 1 0 999 V2000^ 2.5375 -0.2292 0.0000 N 0 0 3 0 0 0 0 0 0^ 1.7792 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0^ 2.6667 0.5125 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.3792 0.7625 0.0000 C 0 0 0 0 0 0 0 0 0^ 3.8167 -0.4792 0.0000 N 0 0 0 0 0 0 0 0 0^ 1.5500 -1.2667 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.1167 -0.7292 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1375 -0.0333 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.1333 0.4500 0.0000 P 0 0 3 0 0 0 0 0 0^ -1.3958 0.4500 0.0000 P 0 0 3 0 0 0 0 0 0^ -2.3500 0.4500 0.0000 O 0 0 0 0 0 0 0 0 0^ 0.4750 -0.5375 0.0000 C 0 0 1 0 0 0 0 0 0^ 0.7417 -1.2667 0.0000 C 0 0 1 0 0 0 0 0 0^ 3.5167 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.1000 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0^ 2.9417 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0^ -0.3208 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.1333 1.2583 0.0000 S 0 0 0 0 0 0 0 0 0^ 2.2375 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5458 0.4458 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.9542 0.4500 0.0000 O 0 5 0 0 0 0 0 0 0^ -3.1333 -0.3167 0.0000 O 0 5 0 0 0 0 0 0 0^ -1.3958 -0.3000 0.0000 O 0 5 0 0 0 0 0 0 0^ -1.3958 1.2083 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.0500 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0^ 4.2792 1.7583 0.0000 N 0 0 0 0 0 0 0 0 0^ 0.2292 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0^ -3.0250 -1.5292 0.0000 Li 0 3 0 0 0 0 0 0 0^ -1.7458 -1.5167 0.0000 Li 0 3 0 0 0 0 0 0 0^ -4.2458 -1.5625 0.0000 Li 0 3 0 0 0 0 0 0 0^ 2 1 1 1 0 0^ 3 1 1 0 0 0^ 4 3 2 0 0 0^ 5 7 2 0 0 0^ 6 2 1 0 0 0^ 7 1 1 0 0 0^ 8 2 1 0 0 0^ 9 11 1 0 0 0^ 10 20 1 0 0 0^ 11 10 1 0 0 0^ 12 8 1 0 0 0^ 13 6 1 0 0 0^ 14 4 1 0 0 0^ 15 3 1 0 0 0^ 16 19 1 0 0 0^ 12 17 1 1 0 0^ 18 9 2 0 0 0^ 19 15 2 0 0 0^ 20 17 1 0 0 0^ 21 9 1 0 0 0^ 22 9 1 0 0 0^ 23 10 1 0 0 0^ 24 10 2 0 0 0^ 6 25 1 6 0 0^ 26 14 1 0 0 0^ 13 27 1 6 0 0^ 4 5 1 0 0 0^ 12 13 1 0 0 0^ 14 16 2 0 0 0^M CHG 6 21 -1 22 -1 23 -1 28 1 29 1 30 1^M END^^
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