Molecular Identity
Nadide
[[(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 phosphate
PubChem CID: 5892
NAD zwitterion is a NAD. It has a role as a geroprotector. It is functionally related to a deamido-NAD zwitterion. It is a conjugate base of a NAD(+).
2D Structure
Properties
C21H27N7O14P2
Molecular Formula
663.40
Molecular Weight
g/mol
663.1091
Exact Mass
Da
-6
XLogP
Drug-like (Lipinski: < 5)
321
TPSA
May have limited oral absorption
7
H-Bond Donors
18
H-Bond Acceptors
1120
Complexity
SMILES
Canonical SMILES
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)NIsomeric SMILES
SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)NSynonyms(20)
nadide53-84-9coenzyme Ibeta-NADCodehydrase ICodehydrogenase Inicotinamide adenine dinucleotidediphosphopyridine nucleotideCozymase Ibeta-Diphosphopyridine nucleotideEnzoprideCOZYMASENadidumNicotinamide-adenine dinucleotidecodehydrogenase
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Nadide
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