input word = C00007258

Metabolite InformationStructural formula
Name D-Coenzyme A
Coenzyme ASH
Formula C21H36N7O16P3S
Mw 767.11520836
CAS RN 85-61-0
C_ID C00007258 ,
InChIKey RGJOEKWQDUBAIZ-UHFFFAOYNA-N
InChICode InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14+,15+,16-,20+/m0/s1
SMILES n1cnc2c(c1N)ncn2[C@@H]1O[C@H]([C@H]([C@H]1O)OP(=O)(O)O)CO[P@@](=O)(O[P@](=O)(O)OCC([C@H](C(=O)NCCC(=O)NCCS)O)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
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