The Biofilms Structural Database
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The Biofilms Structural Database |
NADPH |
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|---|---|
5Z2L |
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Code
NDP | |
|
Name |
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE |
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Molecular Weight |
745.42 |
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Isomeric SMILES |
NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |
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Formula |
C21H30N7O17P3 |
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Identifiers |
[[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate |
|
Formal Charge |
0 |
|
InChI |
InChI=1S/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
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Atom Count |
78 |
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InChIKey |
ACFIXJIJDZMPPO-NNYOXOHSSA-N |
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PDB codes |
5Z2L |
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Type |
NON-POLYMER |
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Chiral Atom Count |
10 |
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Chiral Atoms |
C1B, C1D, C2B, C2D, C3B, C3D, C4B, C4D, PA, PN |
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Bond Count |
82 |
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Aromatic Bond Count |
10 |
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Leaving Atoms |
n/a |