input word = C00007538

Metabolite InformationStructural formula
Name 2'-O-Acetyl-ADP-ribose
Formula C17H25N5O15P2
Mw 601.08223815
CAS RN
C_ID C00007538 ,
InChIKey BFNOPXRXIQJDHO-UHFFFAOYNA-N
InChICode InChI=1S/C17H25N5O15P2/c1-6(23)34-13-11(25)8(36-17(13)27)3-33-39(30,31)37-38(28,29)32-2-7-10(24)12(26)16(35-7)22-5-21-9-14(18)19-4-20-15(9)22/h4-5,7-8,10-13,16-17,24-27H,2-3H2,1H3,(H,28,29)(H,30,31)(H2,18,19,20)/t7-,8-,10+,11+,12+,13+,16-,17-/m1/s1
SMILES O1[C@@H]([C@@H]([C@@H]([C@@H]1n1c2c(nc1)c(ncn2)N)O)O)CO[P@@](=O)(O[P@](=O)(OC[C@H]1O[C@H]([C@H]([C@H]1O)OC(=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
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