1,6-dihydro-β-NAD

Chemical Formula:

C₂₁H₂₇N₇O₁₄P₂

Molecular Weight:

663.43 Daltons

Monoisotopic Mass:

665.1247716966999 Daltons

SMILES:

C1(=C(C=CCN1C5(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/C21H29N7O14P2/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/h1-2,4,7-8,10-11,13-16,20-21,29-32H,3,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

InChIKey:

QVQHBKNZCMZBKP-NNYOXOHSSA-L

Synonyms

6-dihydro-β-nicotinamide adenine dinucleotide
6-dihydro-nicotinamide adenine dinucleotide
6DHNAD

Databases

MetaCyc: CPD-18087

ChEBI: 88140

PubChem (CID): 72200610

MetaNetX: MNXM162614

KEGG: C21424