input word = C00007256

Metabolite InformationStructural formula
Name NAD
Nicotinamide adenine dinucleotide
Formula C21H27N7O14P2
Mw 663.10912161
CAS RN 53-84-9
C_ID C00007256 ,
InChIKey BAWFJGJZGIEFAR-WJWPZZAENA-N
InChICode 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)/t10-,11-,13+,14-,15+,16+,20-,21-/m1/s1
SMILES [C@@H]1(O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)([O-])OC[C@@H]2[C@@H]([C@H](O)[C@H]([n+]3cccc(c3)C(=O)N)O2)O)O[C@H]([C@H]1O)n1c2c(c(ncn2)N)nc1
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
--FOOD SAKE Ref.
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