input word = C00053350

Metabolite InformationStructural formula
Name Isobutyryl CoA
Formula C25H42N7O17P3S
Mw 837.15707317
CAS RN 15621-60-0
C_ID C00053350
InChIKey AEWHYWSPVRZHCT-NDZSKPAWSA-N
InChICode InChI=1S/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-14,17-19,23,34-35H,5-10H2,1-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1
SMILES [H][C@]1(N2C3=NC=NC(N)=C3N=C2)[C@H](O)[C@H](OP(O)(O)=O)[C@@H](COP(OP(OCC(C)(C)[C@@H](O)C(NCCC(NCCSC(C(C)C)=O)=O)=O)(O)=O)(O)=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeCapsicum annuum Ref.
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