input word = C00054727

Metabolite InformationStructural formula
Name 4-(2-Amino-2-carboxyethylthio)butyl glucosinolate
Formula C14H26N2O11S3
Mw 494.06987188
CAS RN 850194-48-8
C_ID C00054727
InChIKey FZOWQMPYXVZDER-JLCMRICXSA-N
InChICode InChI=1S/C17H31NO11S3/c19-5-7-10(21)12(23)14(25)16(28-7)31-9(18-27)3-1-2-4-30-32-17-15(26)13(24)11(22)8(6-20)29-17/h7-8,10-17,19-27H,1-6H2/b18-9+/t7-,8-,10-,11-,12+,13+,14-,15-,16+,17+/m1/s1
SMILES O[C@@H]1[C@@H](O)[C@H](SSCCCC/C(S[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=NO)O[C@H](CO)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeEruca sativa Ref.
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