input word = C00007462

Metabolite InformationStructural formula
Name Coenzyme A
Palmitoyl CoA
Palmityl-CoA
Formula C37H66N7O17P3S
Mw 1005.34487394
CAS RN 1763-10-6
C_ID C00007462 ,
InChIKey MNBKLUUYKPBKDU-BQVDOTMPNA-N
InChICode InChI=1S/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25-43-29-33(38)41-24-42-34(29)44/h24-26,30-32,36,47-48H,4-23H2,1-3H3,(H,39,45)(H,40,49)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,30+,31+,32+,36-/m1/s1
SMILES CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaePoaceaeOryza sativa Ref.
--FOOD SAKE Ref.
zoom in