2-Methoxy-5-methylaniline (BioDeep_00000002224)
Secondary id: BioDeep_00001868220
human metabolite blood metabolite
代谢物信息卡片
化学式: C8H11NO (137.0840596)
中文名称: 3-氨基对甲苯甲醚
谱图信息:
最多检出来源 Viridiplantae(plant) 48%
分子结构信息
SMILES: CC1=CC(=C(C=C1)OC)N
InChI: InChI=1S/C8H11NO/c1-6-3-4-8(10-2)7(9)5-6/h3-5H,9H2,1-2H3
描述信息
CONFIDENCE standard compound; INTERNAL_ID 745; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5210; ORIGINAL_PRECURSOR_SCAN_NO 5208
CONFIDENCE standard compound; INTERNAL_ID 745; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5226; ORIGINAL_PRECURSOR_SCAN_NO 5223
CONFIDENCE standard compound; INTERNAL_ID 745; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5212; ORIGINAL_PRECURSOR_SCAN_NO 5211
CONFIDENCE standard compound; INTERNAL_ID 745; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5203; ORIGINAL_PRECURSOR_SCAN_NO 5201
CONFIDENCE standard compound; INTERNAL_ID 745; DATASET 20200303_ENTACT_RP_MIX500; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5197; ORIGINAL_PRECURSOR_SCAN_NO 5194
CONFIDENCE standard compound; INTERNAL_ID 745; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5219; ORIGINAL_PRECURSOR_SCAN_NO 5218
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1002
同义名列表
数据库引用编号
21 个数据库交叉引用编号
- ChEBI: CHEBI:82307
- KEGG: C19216
- PubChem: 8445
- HMDB: HMDB0245200
- Metlin: METLIN72939
- ChEMBL: CHEMBL398755
- chemspider: 13869579
- CAS: 120-71-8
- MoNA: KW100201
- MoNA: LU074502
- MoNA: LU074503
- MoNA: LU074504
- MoNA: KW100204
- MoNA: KW100203
- MoNA: LU074505
- MoNA: LU074506
- MoNA: KW100202
- MoNA: LU074501
- PMhub: MS000002169
- PubChem: 124489888
- PDB-CCD: ZZT
分类词条
相关代谢途径
Reactome(0)
BioCyc(0)
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)
1 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。
文献列表
- Izet M Kapetanovic, Thomas L Horn, William D Johnson, Michael J Cwik, Carol J Detrisac, David L McCormick. Murine oncogenicity and pharmacokinetics studies of 9-cis-UAB30, an RXR agonist, for breast cancer chemoprevention.
International journal of toxicology.
2010 Mar; 29(2):157-64. doi:
10.1177/1091581809360070
. [PMID: 20335511] - T L Horn, M J Cwik, R L Morrissey, I Kapetanovic, J A Crowell, T D Booth, D L McCormick. Oncogenicity evaluation of resveratrol in p53(+/-) (p53 knockout) mice.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.
2007 Jan; 45(1):55-63. doi:
10.1016/j.fct.2006.07.015
. [PMID: 16965847] - Carla E Torrey, James A Campbell, Debie J Hoivik, Richard T Miller, Jane S Allen, Peter C Mann, Krzysztof Selinger, Douglas Rickert, Paul M Savina, Michael J Santostefano. Evaluation of the carcinogenic potential of clofibrate in the p53+/- mouse.
International journal of toxicology.
2005 Sep; 24(5):289-99. doi:
10.1080/10915810500210237
. [PMID: 16257849] - Y F Sasaki, E Nishidate, Y Q Su, N Matsusaka, S Tsuda, N Susa, Y Furukawa, S Ueno. Organ-specific genotoxicity of the potent rodent bladder carcinogens o-anisidine and p-cresidine.
Mutation research.
1998 Jan; 412(2):155-60. doi:
10.1016/s1383-5718(97)00183-6
. [PMID: 9539969] - S E Dunn, F W Kari, J French, J R Leininger, G Travlos, R Wilson, J C Barrett. Dietary restriction reduces insulin-like growth factor I levels, which modulates apoptosis, cell proliferation, and tumor progression in p53-deficient mice.
Cancer research.
1997 Nov; 57(21):4667-72. doi:
. [PMID: 9354418]