麦角硫因结构式
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常用名 | 麦角硫因 | 英文名 | L-(+)-Ergothioneine |
|---|---|---|---|---|
| CAS号 | 497-30-3 | 分子量 | 229.299 | |
| 密度 | N/A | 沸点 | N/A | |
| 分子式 | C9H15N3O2S | 熔点 | 275-277ºC (dec.) | |
| MSDS | 美版 | 闪点 | N/A |
麦角硫因用途Ergothioneine 是组氨酸甜菜碱的咪唑-2-硫酮衍生物,是由某些细菌和真菌合成的。Ergothioneine 通常被认为是抗氧化剂。 |
摘要:麦角硫因(Ergothioneine),化学名为L-(+)-Ergothioneine,CAS号为497-30-3,分子式为C9H15N3O2S,分子量为229.299,外观为白色固体。该物质熔点为275-277℃(分解)。仅供科研实验参考,不作为医疗诊断与用药依据。
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 中文名 | 麦角硫因 |
|---|---|
| 英文名 | ergothioneine |
| 中文别名 | 2-巯基组氨酸甜菜碱 |
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 熔点 | 275-277ºC (dec.) |
|---|---|
| 分子式 | C9H15N3O2S |
| 分子量 | 229.299 |
| 精确质量 | 229.088501 |
| PSA | 100.97000 |
| LogP | -3.43 |
| InChIKey | SSISHJJTAXXQAX-ZETCQYMHSA-N |
| SMILES | C[N+](C)(C)C(Cc1c[nH]c(=S)[nH]1)C(=O)[O-] |
| 外观性状 | 白色固体 |
| 储存条件 | -20°C |
本表记录该化合物安全警示、防护措施、禁配物、处置方式等安全相关参考信息。
| 个人防护装备 | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
本表为该化合物相关公开文献,包含文献标题、期刊、发表信息等参考资料。
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Effect of mushroom diet on pharmacokinetics of gabapentin in healthy Chinese subjects.
Br. J. Clin. Pharmacol. 78(1) , 129-34, (2014) This study evaluated the pharmacokinetics of gabapentin in Chinese subjects who received a diet rich in shiitake mushrooms. Shiitake mushrooms have been shown to contain high amount of ergothioneine. ... |
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The Aspergillus fumigatus protein GliK protects against oxidative stress and is essential for gliotoxin biosynthesis.
Eukaryotic Cell 11(10) , 1226-38, (2012) The function of a number of genes in the gliotoxin biosynthetic cluster (gli) in Aspergillus fumigatus remains unknown. Here, we demonstrate that gliK deletion from two strains of A. fumigatus complet... |
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Uptake and protective effects of ergothioneine in human endothelial cells.
J. Pharmacol. Exp. Ther. 350(3) , 691-700, (2014) Ergothioneine is a thiourea derivative of histidine found in food, especially mushrooms. Experiments in cell-free systems and chemical assays identified this compound as a powerful antioxidant. Experi... |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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实验名称:Increase the activity of the Burkholderia fixLJ 2-component system
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:Burkholderia multivorans
External Id:HMS1625
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实验名称:Enzymatic assay of human HDAC6 with commercial peptide substrate
来源:ChEMBL
靶标:Histone deacetylase 6
External Id:CHEMBL4808149
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实验名称:Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:HCMV UL50
External Id:HMS1262
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实验名称:Enzymatic assay of human HDAC6 with custom peptide substrate
来源:ChEMBL
靶标:Histone deacetylase 6
External Id:CHEMBL4808150
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实验名称:Chemical Probes of Kaposi's Sarcoma Herpes Virus Latent Infection
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:ORF 73 [Human herpesvirus 8 type M]
External Id:HMS791
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实验名称:Rescue cell viability in cybrid cells with a genetic mutation in complex 1 of the mit...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1315
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实验名称:High-throughput screen for inhibitors of the GIV GBA-motif interaction with Galpha-i ...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS1303
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实验名称:A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id:HMS979
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实验名称:Phenotypic Assay to Identify Small Molecules that Upregulate Production of hCFTR in H...
来源:Southern Research Institute
靶标:CFTR
External Id:CF Folding
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实验名称:MELAS cybrid survival enhancement under low glucose conditions
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1419
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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| ergothioneine |
| L-Ergothioneine |
| (2S)-3-(2-Thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylammonio)propanoate |
| [(S)-1-carboxy-2-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-ethyl]-trimethyl-ammonium,betaine |
| Thiolhistidine betaine |
| Sympectothion |
| (S)-a-Carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-1H-imidazole-4-ethanaminium Hydroxide Inner Salt |
| L(+)-Ergothioneine |
| Thiotane |
| 2-thiol-L-histidine-betaine |
| [(S)-1-Carboxy-2-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-aethyl]-trimethyl-ammonium,Betain |
| Ammonium, [1-carboxy-2-(2-thioxo-4-imidazolin-4-yl)ethyl]trimethyl-, hydroxide, inner salt |
| (2S)-3-(2-Sulfanyl-1H-imidazol-5-yl)-2-(trimethylammonio)propanoate |
| [1-Carboxy-2-[2-mercaptoimidazol-4(or 5)-yl]ethyl]trimethylammonium Hydroxide Inner Salt |
| thiotaine |
| Thiasine |
| Thiolhistidine-βine |
| Phytothioneine |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 麦角硫因有什么用途? |
| A: 麦角硫因主要用途:Ergothioneine 是组氨酸甜菜碱的咪唑-2-硫酮衍生物,是由某些细菌和真菌合成的。Ergothioneine 通常被认为是抗氧化剂。 |
| Q: 497-30-3的中文名称是什么? |
| A: 497-30-3的中文名称为麦角硫因。 |
| Q: 麦角硫因的分子式是什么? |
| A: 麦角硫因分子式为C9H15N3O2S。 |
| Q: 麦角硫因的InChIKey是什么? |
| A: 麦角硫因InChIKey为SSISHJJTAXXQAX-ZETCQYMHSA-N。 |
| Q: 麦角硫因的LogP(油水分配系数)是多少? |
| A: 麦角硫因LogP(油水分配系数)为-3.43。 |
| Q: 麦角硫因的英文名称是什么? |
| A: 麦角硫因英文名称为ergothioneine。 |
| Q: 麦角硫因的SMILES表达式是什么? |
| A: 麦角硫因SMILES表达式为C[N+](C)(C)C(Cc1c[nH]c(=S)[nH]1)C(=O)[O-]。 |
| Q: 麦角硫因的外观是什么? |
| A: 麦角硫因外观为白色固体。 |
| Q: 麦角硫因的CAS号是多少? |
| A: 麦角硫因CAS号为497-30-3。 |
| Q: 麦角硫因有哪些中文别名? |
| A: 麦角硫因中文别名有:2-巯基组氨酸甜菜碱。 |
本表列出该化合物相关生产厂商、供应商信息,包含厂家名称、产品供应相关参考信息。
| 云南西力生物技术股份有限公司 |
| 上海阿拉丁生化科技股份有限公司 |
| 盼得(上海)国际贸易有限公司 |
| 苏州市森菲达化工有限公司 |
| 中山市迪欣化工有限公司 |
| 江西瑞威尔生物科技有限公司 |
| 中山星瑞化工有限公司 |