(S)-NADHX

(<i>S</i>)-NADHX




Chemical Formula:
C21H29N7O15P2
Molecular Weight:
681.445 Daltons
Monoisotopic Mass:
683.1353363829999 Daltons
SMILES:
C1(=C(CCC(O)N1C5(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/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/p-2/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1
InChIKey:
IDBZKGQRLBFUFQ-VPHRTNKSSA-L

Synonyms
  • (6S)-6-β-hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide

Databases
MetaCyc:  CPD-653
HMDB:  HMDB59644
ChEBI:  64074
PubChem (CID):  25203523
KEGG:  C04856
Seed:  cpd02951
MetaNetX:  MNXM1964