input word = C00007345

Metabolite InformationStructural formula
Name 5-Methylsulfinylpentyl glucosinolate
Glucoalyssin
Formula C13H25NO10S3
Mw 451.06405822
CAS RN 499-37-6
C_ID C00007345 ,
InChIKey HUCGRJSHMZWRQQ-ZROIWOOFNA-N
InChICode InChI=1S/C13H25NO10S3/c1-26(19)6-4-2-3-5-9(14-24-27(20,21)22)25-13-12(18)11(17)10(16)8(7-15)23-13/h8,10-13,15-18H,2-7H2,1H3,(H,20,21,22)/b14-9+/t8-,10-,11-,12+,13-,26-/m1/s1
SMILES C(CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)CO)[S@](=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeBoechera drummondii Ref.
PlantaeBrassicaceaeCardaria chalapensis Ref.
PlantaeBrassicaceaeGuillenia lasiophylla Ref.
PlantaeCruciferaeAlyssum alyssoides Ref.
PlantaeCruciferaeAlyssum argenteum Ref.
PlantaeCruciferaeAlyssum bertolonii Ref.
PlantaeCruciferaeAlyssum granatense Ref.
PlantaeCruciferaeAlyssum minus Ref.
PlantaeCruciferaeAlyssum minutum Ref.
PlantaeCruciferaeAlyssum murale Ref.
PlantaeCruciferaeAlyssum spp. Ref.
PlantaeCruciferaeAlyssum tortuosum Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeAurinia saxatilis Ref.
PlantaeCruciferaeBornmuellera dieckii Ref.
PlantaeCruciferaeBrassica campestris ssp. rapifera Ref.
PlantaeCruciferaeBrassica campestris var. chinensis Ref.
PlantaeCruciferaeBrassica oleracea var. gongylodes Ref.
PlantaeCruciferaeBrassica rapa Ref.
PlantaeCruciferaeCarrichtera annua Ref.
PlantaeCruciferaeDimorphocarpa wislizenii Ref.
PlantaeCruciferaeDithyrea californica Ref.
PlantaeCruciferaeErysimum asperum Ref.
PlantaeCruciferaeErysimum hieracifolium Ref.
PlantaeCruciferaeErysimum rhaeticum Ref.
PlantaeCruciferaeFarsetia clypeata Ref.
PlantaeCruciferaeHesperis matronalis Ref.
PlantaeCruciferaeLesquerella ludoviciana Ref.
PlantaeCruciferaeLesquerella mirandiana Ref.
PlantaeCruciferaeLunaria annua Ref.
PlantaeCruciferaeMalcolmia africana Ref.
PlantaeCruciferaeMatthiola bicornis Ref.
PlantaeCruciferaeNerisyrenia camporum Ref.
PlantaeCruciferaePhysaria floribunda Ref.
PlantaeCruciferaeThelypodium brachycarpum Ref.
PlantaeCruciferaeThelypodium crispum Ref.
PlantaeCruciferaeThelypodium laciniatum Ref.
PlantaeCruciferaeThelypodium repandum Ref.
PlantaeCruciferaeThelypodium wrightii Ref.
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OrganismHesperis matronalis
ReferenceCole,Phytochem.,15,(1976),759