input word = C00019568

Metabolite InformationStructural formula
Name Nicotinic acid dinucleotide
Formula C21H26N6O15P2
Mw 664.09313719
CAS RN 6450-77-7
C_ID C00019568 ,
InChIKey SENPVEZBRZQVST-DQONGVBVNA-N
InChICode InChI=1S/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11+,13+,14-,15+,16-,19-,20+/m1/s1
SMILES O([P@](=O)(O)O[P@@](=O)(OC[C@H]1[C@@H](O)[C@@H](O)[C@@H](n2c3c(nc2)c(ncn3)N)O1)O)C[C@@H]1[C@H](O)[C@H](O)[C@@H](O1)[n+]1cc(ccc1)C(=O)[O-]
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
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