input word = C00054938

Metabolite InformationStructural formula
Name Allithiamine
Formula C15H22N4O2S2
Mw 354.11841744
CAS RN 554-44-9
C_ID C00054938
InChIKey WNCAVNGLACHSRZ-SDNWHVSQSA-N
InChICode InChI=1S/C15H22N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h4,8,10,20H,1,5-7,9H2,2-3H3,(H2,16,17,18)/b14-11+
SMILES C=CCSS/C(CCO)=C(N(C=O)CC(C(N)=N1)=CN=C1C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium sativum Ref.
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OrganismAllium sativum
ReferenceMatsukawa, T. et al., Science (Washington, D.C.), 1953, 118, 325 (isol, struct)