The Biofilms Structural Database

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NADPH

5Z2L

Code

NDP

Name

NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

Molecular Weight

745.42

Isomeric SMILES

NC(=O)C1=CN(C=CC1)[[email protected]@H]1O[[email protected]](CO[[email protected]@](O)(=O)O[[email protected]](O)(=O)OC[[email protected]]2O[[email protected]]([[email protected]](OP(O)(O)=O)[[email protected]@H]2O)n2cnc3c(N)ncnc23)[[email protected]@H](O)[[email protected]]1O

Formula

C21H30N7O17P3

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

Atom Count

78

InChIKey

ACFIXJIJDZMPPO-NNYOXOHSSA-N

PDB codes

5Z2L

Type

NON-POLYMER

Chiral Atom Count

10

Chiral Atoms

C1B, C1D, C2B, C2D, C3B, C3D, C4B, C4D, PA, PN

Bond Count

82

Aromatic Bond Count

10

Leaving Atoms

n/a