NAD⁺

Chemical Formula:

C₂₁H₂₆N₇O₁₄P₂

Molecular Weight:

662.422 Daltons

Monoisotopic Mass:

664.1169466645999 Daltons

SMILES:

C1(C(=CC=C[N+]=1C5(OC(COP(=O)([O-])OP(=O)([O-])OCC2(OC(C(O)C(O)2)N4(C=NC3(C(N)=NC=NC=34))))C(O)C(O)5))C(N)=O)

InChI:

1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p-1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey:

BAWFJGJZGIEFAR-NNYOXOHSSA-M

Synonyms

NAD+
beta-nicotinamide adenine dinucleotide
coenzyme I
diphosphopyridine nucleotide
diphosphopyridine nucleotide oxidized
nicotinamide adenine dinucleotide
nicotinamide adenine dinucleotide oxidized
NAD-oxidized
NAD-ox
DPN+
DPN-ox
DPN
β-nicotinamide adenine dinucleotide
NAD
β-NAD⁺
Nadide

Databases

MetaCyc: NAD

RefMet: NAD+

BiGG: nad

MetaboLights: MTBLC57540

HMDB: HMDB00902

ChemSpider: 10239196

ChEBI: 57540 15846

PubChem (CID): 15938971 5893

KEGG: C00003

CAS: 53-84-9

CHEMBL: CHEMBL1234613 CHEMBL1454168 CHEMBL3039307

PDB-CCD: NAD NAJ

3DMET: B01126

NIKKAJI: J136.554A

MediaDB: compounds/3/

Seed: cpd00003

MetaNetX: MNXM8

PupChem (SID): 3305

KNApSAcK: C00007256