4-((Ethylanilino)methyl)benzenesulphonic acid (BioDeep_00000413071)
代谢物信息卡片
化学式: C15H17NO3S (291.0929)
中文名称: N-乙基-N-(3-磺酸苄基)苯胺, 4-((乙基苯胺)甲基)苯磺酸
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCN(CC1=CC(=CC=C1)S(=O)(=O)O)C2=CC=CC=C2
InChI: InChI=1S/C15H17NO3S/c1-2-16(14-8-4-3-5-9-14)12-13-7-6-10-15(11-13)20(17,18)19/h3-11H,2,12H2,1H3,(H,17,18,19)
描述信息
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2785; ORIGINAL_PRECURSOR_SCAN_NO 2784
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2801; ORIGINAL_PRECURSOR_SCAN_NO 2800
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2761; ORIGINAL_PRECURSOR_SCAN_NO 2760
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2781; ORIGINAL_PRECURSOR_SCAN_NO 2780
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2778; ORIGINAL_PRECURSOR_SCAN_NO 2777
INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2778; ORIGINAL_PRECURSOR_SCAN_NO 2777
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5868; ORIGINAL_PRECURSOR_SCAN_NO 5866
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5916; ORIGINAL_PRECURSOR_SCAN_NO 5914
DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; CONFIDENCE standard compound; INTERNAL_ID 879; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5907; ORIGINAL_PRECURSOR_SCAN_NO 5904
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5907; ORIGINAL_PRECURSOR_SCAN_NO 5904
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5930; ORIGINAL_PRECURSOR_SCAN_NO 5929
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5941; ORIGINAL_PRECURSOR_SCAN_NO 5939
CONFIDENCE standard compound; INTERNAL_ID 879; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5936; ORIGINAL_PRECURSOR_SCAN_NO 5934
同义名列表
26 个代谢物同义名
3-((Ethyl(phenyl)amino)methyl)benzenesulfonic acid; 3-((Ethylphenylamino)methyl)benzenesulfonic acid; 4-((Ethylanilino)methyl)benzenesulphonic acid; .alpha.-(N-Ethylanilino)-m-toluenesulfonic acid; .ALPHA.-N-ETHYLANILINOTOLUENE-3-SULFONIC ACID; 3-[(ethylphenylamino)methyl]benzenesulfonic acid; 3-[(N-ethylanilino)methyl]benzenesulfonic acid; 3-{[ethyl(phenyl)amino]methyl}benzene-1-sulfonic acid; 3-{[ethyl(phenyl)amino]methyl}benzenesulfonic acid; 9CA7X98HXU; alpha-(N-Ethylanilino)-m-toluenesulfonic acid; ALPHA-N-ETHYLANILINOTOLUENE-3-SULFONIC ACID; alpha-N-Ethylanilinotoluene-3-sulphonic acid; Benzenesulfonic acid, 3-((ethylphenylamino)methyl)-; Benzenesulfonic acid, 3-[(ethylphenylamino)methyl]-; BQGRVFPPZJPWPB-UHFFFAOYSA-N; M-TOLUENESULFONIC ACID, .ALPHA.-(N-ETHYLANILINO)-; m-Toluenesulfonic acid, alpha-(N-ethylanilino)-; N-ETHYL-N-(3-SULFOBENZYL)ANILINE; N-ethyl-N-benzyl aniline-3'-sulfonic acid; N-ETHYL-N-BENZYLAMINOBENZENE-3'-SULFONIC ACID; N-ethyl-N-benzylaniline-3'-sulfonic acid; N-Ethyl-N-benzylaniline-3'-sulfonic acid, AldrichCPR; N-m-sulphobenzyl-N-ethylaniline; Tox21_300921; UNII-9CA7X98HXU
分类词条
相关代谢途径
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代谢反应
0 个相关的代谢反应过程信息。
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0 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。
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