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SCFBio, IIT Delhi Hauz Khas, New Delhi
Structure
Compound BIMP090831

Nicotinamide-Adenine-Dinucleotide

Formula: C21H28N7O14P2+  |  Mol. Weight: 664.40 g/mol

IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate

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Overview

Molecular Formula C21H28N7O14P2+
Molecular Weight 664.40 g/mol
Canonical SMILES C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N

Structure (2D/3D)

Chemical Identifiers

Chemical Properties

Compound Classification

Pharmacokinetics (GIA/BBB)

Druglikeness Rules

Taxonomy

Disease Associations