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 Nc1ncnc2c1ncn2C1OC(CO[P@SP3](=O)(O)O[P@SP3](=O)([O-])OCC2OC([n+]3cccc(C(=O)O)c3)C(O)C2O)C(O[P@SP2](=O)(O)O)C1O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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