input word = C00007593

Metabolite InformationStructural formula
Name 5-Methylthiopentylglucosinolate
Glucoberteroin
Formula C13H25NO9S3
Mw 435.0691436
CAS RN 29611-01-6
C_ID C00007593 ,
InChIKey MEFPHTVXBPLRLX-XHBAICLENA-N
InChICode InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/b14-9-/t8-,10-,11+,12+,13+/m0/s1
SMILES C(CCC/C(=N/OS(=O)(=O)O)/S[C@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)CO)CSC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
PlantaeBrassicaceaeCardaria chalapensis Ref.
PlantaeBrassicaceaeGuillenia lasiophylla Ref.
PlantaeCruciferaeAlyssum alyssoides Ref.
PlantaeCruciferaeAlyssum argenteum Ref.
PlantaeCruciferaeAlyssum bertolonii Ref.
PlantaeCruciferaeAlyssum chondrogynum Ref.
PlantaeCruciferaeAlyssum granatense Ref.
PlantaeCruciferaeAlyssum minus Ref.
PlantaeCruciferaeAlyssum minutum Ref.
PlantaeCruciferaeAlyssum tortuosum Ref.
PlantaeCruciferaeAlyssum troodi Ref.
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaeCruciferaeArabis sparsiflora Ref.
PlantaeCruciferaeArmoracia lapathifolia Ref.
PlantaeCruciferaeAurinia saxatilis Ref.
PlantaeCruciferaeBerteroa incana Ref.
PlantaeCruciferaeBornmuellera dieckii Ref.
PlantaeCruciferaeBrassica napus var. napobrassica Ref.
PlantaeCruciferaeBrassica pekinensis Ref.
PlantaeCruciferaeCakile artica Ref.
PlantaeCruciferaeCakile constricta Ref.
PlantaeCruciferaeCakile edentula Ref.
PlantaeCruciferaeCakile lanceolata Ref.
PlantaeCruciferaeCakile maritima Ref.
PlantaeCruciferaeCarrichtera annua Ref.
PlantaeCruciferaeDescurainia richardsonii Ref.
PlantaeCruciferaeDimorphocarpa wislizenii Ref.
PlantaeCruciferaeDithyrea californica Ref.
PlantaeCruciferaeDithyrea wislizenii Ref.
PlantaeCruciferaeErysimum asperum Ref.
PlantaeCruciferaeErysimum hieracifolium Ref.
PlantaeCruciferaeErysimum rhaeticum Ref.
PlantaeCruciferaeFarsetia clypeata Ref.
PlantaeCruciferaeHesperis matronalis Ref.
PlantaeCruciferaeLepidium perfoliatum Ref.
PlantaeCruciferaeLunaria annua Ref.
PlantaeCruciferaeNerisyrenia camporum Ref.
PlantaeCruciferaeNotoceras bicorne Ref.
PlantaeCruciferaeRaphanus sativus Ref.
PlantaeCruciferaeSynthlipsis greggii Ref.
PlantaeCruciferaeThelypodium crispum Ref.
PlantaeCruciferaeThelypodium laciniatum Ref.
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OrganismRaphanus sativus
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter13