CAS: 58-68-4
Название: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
SMILES:
C1C=CN(C=C1C(=O)N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)OMolecular Processing
Molecular formula
C21H29N7O14P2
Molecular weight
665.45
Exact mass
665.1248
XLogP
-2.69
TPSA
317.62
H-bond donors
8
H-bond acceptors
17
Rotatable bonds
11
Heavy atoms
44
Rings
5
Aromatic rings
2
Saturated rings
2
Aliphatic rings
3
Stereo centers
10
Undefined stereo
10
Formal charge
0
Heteroatoms
23
Covalent units
1
Fraction Csp3
0.524
Molar refractivity
141.85
Supplementary Information
InChIKey: BOPGDPNILDQYTO-NNYOXOHSSA-N
Синонимы
NADHDPNH58-68-4beta-NADH1,4-Dihydronicotinamide adenine dinucleotideNADH2dihydronicotinamide adenine dinucleotideReduced nicotinamide adenine diphosphateReduced nicotinamide-adenine dinucleotideReduced Nicotinamide Adenine Dinucleotide[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate4J24DQ0916Nicotinamide-adenine dinucleotide, reducednicotinamide adenine dinucleotide (reduced)CHEBI:16908DTXSID30889320[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acidAdenosine 5'-(trihydrogen diphosphate), P'->5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamideNAD reduced(((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)((((2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy))phosphinic acid(((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl hydrogen phosphate((2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl (((2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) hydrogen phosphate[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphateRefChem:552993DTXCID301028583200-393-0beta-DPNHDihydrocozymaseCoenzyme I, reducedCozymase I, reduced
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