input word = C00007257

Metabolite InformationStructural formula
Name 3'-Dephospho-CoA
Formula C21H35N7O13P2S
Mw 687.14887797
CAS RN 3633-59-8
C_ID C00007257 ,
InChIKey KDTSHFARGAKYJN-BVKHXDLPNA-N
InChICode InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/t11-,14+,15+,16-,20-/m0/s1
SMILES n1c2c(c(nc1)N)ncn2[C@@H]1[C@@H]([C@@H]([C@@H](O1)CO[P@](=O)(O)O[P@@](=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
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