2(3H)-Benzothiazolethione (BioDeep_00000002889)

 

Secondary id: BioDeep_00000412846, BioDeep_00000869877, BioDeep_00001871284

human metabolite PANOMIX_OTCML-2023 Endogenous


代谢物信息卡片


2-Mercaptobenzothiazole (in liquid mixtures)

化学式: C7H5NS2 (166.9863)
中文名称: 苯并[d]噻唑-2-硫醇, 2-巯基苯并噻唑
谱图信息: 最多检出来源 Homo sapiens(otcml) 9.14%

分子结构信息

SMILES: C1=CC=C2C(=C1)NC(=S)S2
InChI: InChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3898; ORIGINAL_PRECURSOR_SCAN_NO 3894
CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3896; ORIGINAL_PRECURSOR_SCAN_NO 3892
CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3929; ORIGINAL_PRECURSOR_SCAN_NO 3926
CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3935; ORIGINAL_PRECURSOR_SCAN_NO 3932
ORIGINAL_ACQUISITION_NO 3935; CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 3932
CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3886; ORIGINAL_PRECURSOR_SCAN_NO 3882
CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3928; ORIGINAL_PRECURSOR_SCAN_NO 3923
CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3864; ORIGINAL_PRECURSOR_SCAN_NO 3861
CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3899; ORIGINAL_PRECURSOR_SCAN_NO 3896
CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3930; ORIGINAL_PRECURSOR_SCAN_NO 3925
CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4000; ORIGINAL_PRECURSOR_SCAN_NO 3996
CONFIDENCE standard compound; INTERNAL_ID 494; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3878; ORIGINAL_PRECURSOR_SCAN_NO 3874
CONFIDENCE standard compound; INTERNAL_ID 226; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3918; ORIGINAL_PRECURSOR_SCAN_NO 3914
2(3H)-Benzothiazolethione is found in fruits. 2(3H)-Benzothiazolethione is a constituent of cranberries
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3190
CONFIDENCE standard compound; INTERNAL_ID 8206
CONFIDENCE standard compound; INTERNAL_ID 8785
2-Mercaptobenzothiazole is an endogenous metabolite.
2-Mercaptobenzothiazole is an endogenous metabolite.

同义名列表

79 个代谢物同义名

2-Mercaptobenzothiazole (in liquid mixtures); 2(3H)-Benzothiazolethione, potassium salt; 2,3-dihydro-1,3-benzothiazole-2-thione; 1,3-Benzothiazol-2-yl hydrosulphide; 1,3-Benzothiazol-2-yl hydrosulfide; Vulkacit m, vulkacit merkapto/c; 2-Mercaptobenzothiazole (2-MBT); 2-Sulphanyl-1,3-benzothiazole; 2-Sulfanyl-1,3-benzothiazole; 4162-43-0 (Copper(+2) salt); 2-Benzothiazolyl mercaptan; 7778-70-3 (Potassium salt); 1,3-Benzothiazole-2-thiol; 2(3H)-Benzothiazolethione; Captax, mercury (+2) salt; 2-Mercapto-benzothiazole; Benzothiazolyl mercaptan; Benzo[d]thiazole-2-thiol; Captax, bismuth(+3) salt; Captax, cobalt(+2) salt; 2-mercaptobenzothiolate; Captax, copper(+2) salt; 2-Mercaptobenzothiazole; 2-Benzothiazolinethione; Captax, silver(+1) salt; 2-Mercaptobenzthiazole; Benzothiazole-2-thione; Captax, potassium salt; 2-Mercptobenzothiazole; Mercapto-benzothiazole; Mercaptobenzothiazole; 2-Merkaptobenzthiazol; Benzothiazole-2-thiol; 2-Benzothiazolethione; Captax, lead(+2) salt; 2-Merkaptobenzotiazol; Mercaptobenzthiazole; Mercaptobenzothiazol; Accelerator mercapto; 155-04-4 (Zinc salt); 2-Benzothiazolethiol; Captax, sodium salt; Vulkacit mercapto/c; 2-Thiobenzothiazole; Benzothiazolethiol; Pennac MBT powder; Captax, zinc salt; Vulkacit mercapto; Accelerator m; Perkacit MBT; MBT, Captax; Pneumax MBT; Pennac MBT; Mebithizol; Mebetizole; Nocceler m; Vulkacit m; Nuodex 84; Royal MBT; Soxinol m; Nuodeb 84; Mebetizol; Sulfadene; Dermacid; Thiot ax; Ekagom g; Thiotax; Drmacid; Accel m; Kaptaks; Mertax; Kaptax; Captax; 2-MBT; Rotax; Rokon; MBT; 2-Mercaptobenzothiazole; 2-Mercaptobenzothiazole



数据库引用编号

53 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(2)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

2 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有:

  • PubMed: 来源于PubMed文献库中的文献信息,我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表,这个列表按照代谢物同时出现的文献数量降序排序,取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘,得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序,取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中,存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称,可以跳转到相关代谢物的信息页面。

亚细胞结构定位 关联基因列表
Cytoplasm 7 AHR, CASP3, CYP1A1, CYP2E1, IL18, SLC5A5, TYR
Peripheral membrane protein 3 CYP1A1, CYP1B1, CYP2E1
Endoplasmic reticulum membrane 4 CD4, CYP1A1, CYP1B1, CYP2E1
Nucleus 3 AHR, CASP3, SLC5A5
cytosol 5 AHR, CASP3, GLS, GSR, IL18
nucleoplasm 2 AHR, CASP3
Cell membrane 5 CD4, CD86, PTPRC, SLC5A5, TNF
Multi-pass membrane protein 1 SLC5A5
Synapse 2 GLS, PTPRC
cell surface 4 CD86, ICAM1, PTPRC, TNF
glutamatergic synapse 1 CASP3
lysosomal membrane 1 GAA
mitochondrial inner membrane 2 CYP1A1, CYP2E1
neuronal cell body 2 CASP3, TNF
Cytoplasm, cytosol 2 GLS, IL18
Lysosome 2 GAA, TYR
plasma membrane 8 CD4, CD86, GAA, ICAM1, MUC5B, PTPRC, SLC5A5, TNF
Membrane 6 CD86, CYP1B1, GAA, ICAM1, PTPRC, SLC5A5
extracellular exosome 7 CD86, GAA, GSR, ICAM1, MUC5B, PTPRC, SLC5A5
Lysosome membrane 1 GAA
extracellular space 7 CXCL8, ICAM1, IL18, IL4, MMP1, MUC5B, TNF
lysosomal lumen 1 GAA
perinuclear region of cytoplasm 1 TYR
mitochondrion 4 CYP1A1, CYP1B1, GLS, GSR
protein-containing complex 1 AHR
intracellular membrane-bounded organelle 6 CYP1A1, CYP1B1, CYP2E1, GAA, MUC5B, TYR
Microsome membrane 3 CYP1A1, CYP1B1, CYP2E1
postsynaptic density 1 CASP3
Single-pass type I membrane protein 5 CD4, CD86, ICAM1, PTPRC, TYR
Secreted 4 CXCL8, GAA, IL18, IL4
extracellular region 6 CXCL8, GAA, IL18, IL4, MMP1, TNF
cytoplasmic side of plasma membrane 1 PTPRC
mitochondrial matrix 2 GLS, GSR
transcription regulator complex 1 AHR
centriolar satellite 1 CD86
external side of plasma membrane 6 CD4, CD86, GSR, ICAM1, PTPRC, TNF
Extracellular vesicle 1 SLC5A5
Secreted, extracellular space, extracellular matrix 1 MMP1
Melanosome membrane 1 TYR
Early endosome 1 CD4
Golgi-associated vesicle 1 TYR
recycling endosome 1 TNF
Single-pass type II membrane protein 1 TNF
Mitochondrion inner membrane 2 CYP1A1, CYP2E1
Membrane raft 4 CD4, ICAM1, PTPRC, TNF
focal adhesion 2 ICAM1, PTPRC
extracellular matrix 2 MMP1, MUC5B
collagen-containing extracellular matrix 1 ICAM1
chromatin 1 AHR
phagocytic cup 1 TNF
[Isoform 1]: Mitochondrion 1 GLS
aryl hydrocarbon receptor complex 1 AHR
tertiary granule membrane 1 GAA
Melanosome 1 TYR
secretory granule membrane 1 PTPRC
Golgi lumen 1 MUC5B
endoplasmic reticulum lumen 1 CD4
azurophil granule membrane 1 GAA
immunological synapse 1 ICAM1
clathrin-coated endocytic vesicle membrane 1 CD4
ficolin-1-rich granule membrane 1 GAA
death-inducing signaling complex 1 CASP3
[Isoform 3]: Mitochondrion 1 GLS
membrane microdomain 1 PTPRC
[Glutaminase kidney isoform, mitochondrial 68 kDa chain]: Mitochondrion matrix 1 GLS
[Glutaminase kidney isoform, mitochondrial 65 kDa chain]: Mitochondrion matrix 1 GLS
bleb 1 PTPRC
[Tumor necrosis factor, soluble form]: Secreted 1 TNF
T cell receptor complex 1 CD4
autolysosome lumen 1 GAA
nuclear aryl hydrocarbon receptor complex 1 AHR
cytosolic aryl hydrocarbon receptor complex 1 AHR
[C-domain 2]: Secreted 1 TNF
[Tumor necrosis factor, membrane form]: Membrane 1 TNF
[C-domain 1]: Secreted 1 TNF


文献列表

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