input word = C00007259

Metabolite InformationStructural formula
Name Acetyl-CoA
Formula C23H38N7O17P3S
Mw 809.12577304
CAS RN 72-89-9
C_ID C00007259 ,
InChIKey ZSLZBFCDCINBPY-UHFFFAOYNA-N
InChICode InChI=1S/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,16-18,22,33-34H,4-9H2,1-3H3,(H,25,32)(H,26,35)(H,39,40)(H,41,42)(H2,24,27,28)(H2,36,37,38)/t13-,16+,17-,18+,22+/m1/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)(OCC([C@H](C(=O)NCCC(=O)NCCSC(=O)C)O)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro
Organism
Kingdom Family Species Reference
BacteriaEnterobacteriaceaeEscherichia coli Ref.
BacteriaPseudomonadaceaePseudomonas putida Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
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