input word = C00007537

Metabolite InformationStructural formula
Name Nicotinic acid adenine dinucleotide
Formula C21H27N6O18P3
Mw 744.05946758
CAS RN 5502-96-5
C_ID C00007537 ,
InChIKey GFNQFHVWGPUVBW-UHFFFAOYNA-N
InChICode InChI=1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-15(30)16(44-46(33,34)35)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)14(29)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/t10-,11-,13-,14+,15+,16-,19-,20-/m1/s1
SMILES O1[C@@H]([C@H]([C@@H]([C@@H]1n1c2c(nc1)c(ncn2)N)O)OP(=O)(O)O)CO[P@@](=O)(O[P@@](=O)(OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)[n+]1cc(ccc1)C(=O)O)[O-])O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
zoom in