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Basic information
- CAS
21973-56-8- Standard SMILES
CSCCCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- Molecular formula
- C12H23NO9S3
- Average molar mass
- 421.51 g/mol
Names & identifiers
- Preferred name
- Glucoerucin
- English name
- Glucoerucin
- Molecular formula
- C12H23NO9S3
- Molecular weight
- 421.51
Names & synonyms
Ccris 9054glucoerucinGLUCOERUCIN(P)GLUCOERUCIN(RG)glucoerucin(1-)Einecs 244-689-8[1-[(Sulfooxy)imino]-5-(methylthio)pentyl]-1-thio-β-D-glucopyranoside1-S-[1-[(Sulfooxy)imino]-5-(methylthio)pentyl]-1-thio-β-D-glucopyranose1-thio-beta-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]β-D-Glucopyranose, 1-thio-, 1-[5-(methylthio)-N-(sulfooxy)pentanimidate]
Database identifiers
- CAS
21973-56-8- PubChem CID
- 9548895
- UNII
- N2XE2B8FYY
Properties
Physicochemical properties
- Density
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- pka
- -2.91 · -2.91±0.18(Predicted)
- InChI
- InChI=1/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/b13-8+/t7-,9-,10+,11-,12+/s3
- InChIKey
- GKUMMDFLKGFCKH-OQSPNCFYNA-N
- SMILES
- [C@@H]1([C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O)S/C(=N/OS(=O)(=O)O)/CCCCSC |&1:0,1,3,4,6,r|
- FDA UNII
- 2 XE2B8FYY · N2XE2B8FYY
Chemistry & industry
Applications
DescriptionGlucoerucin is mainly present in cruciferous or brassica vegetables, such as broccoli, cabbage, cauliflower, rapeseed, and mustard. The reason why arugula is bitter and spicy, and even why mustard is pungent, is in fact because they belong to the cruciferous vegetables family, which contains thioglucosides and sesquiterpene glycosides. When chewed and broken by the teeth, sesquiterpene glycosides can be hydrolyzed by their own endogenous myrosinase (black mustard enzyme) to generate sesquiterpenes. Under certain conditions, these can be converted into radish sulfide (raphanin) through interaction with sulfur-containing compounds. Both types of metabolites possess a certain degree of bitterness and strong pungent irritating odor, along with some sulfide taste characteristics.
UsesGlucoerucin is an aryl hydrocarbon receptor antagonist and is the 4-methylthio-butyl glucosinolate found in the seeds of Eruca sativa Mill[1].
Suppliers13 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海纽雀客生物科技有限公司13916276291 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
TargetMol 中国（陶术生物）
Related reactions
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Compound notes
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