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 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](C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC)O)OP(=O)(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.
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