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기본 정보
- CAS
21973-56-8- 표준 SMILES
CSCCCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O- InChIKey
GKUMMDFLKGFCKH-URYVQPGZSA-N- 분자식
- C12H23NO9S3
- 평균 분자량
- 421.515 g/mol
- 단동위원소 질량
- 421.05349432
이름 및 식별자
- 우선 이름
- 1-S-[5-(Methylsulfanyl)-N-(sulfooxy)pentanimidoyl]-1-thiohexopyranose
- IUPAC
- 1-S-[5-(Methylsulfanyl)-N-(sulfooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose
- 현지명
- 1-티오-베타-D-글루코피라노스1-[5-(메틸티오)-N-(설폭시)발레리미데이트]
- 영어명
- Glucoerucin
- 분자식
- C12H23NO9S3
- 분자량
- 421.51
이름 및 동의어
1-티오-베타-D-글루코피라노스1-[5-(메틸티오)-N-(설폭시)발레리미데이트]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]
데이터베이스 식별자
- CAS
21973-56-8- PubChem CID
- 656539
- DTXSID
DTXSID50944561- EC Number
- 244-689-8
물성
물리화학적 성질
- 밀도
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- 산도 계수 (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|
화학 및 산업
응용 분야
개요Glucoerucin 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.
공급사13 곳
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武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
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TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
上海昕凯医药科技有限公司
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