3alpha,4,7,7alpha-Tetrahydro-1H-isoindole-1,3(2H)-dione (BioDeep_00000022999)
human metabolite
代谢物信息卡片
化学式: C8H9NO2 (151.0633)
中文名称: 1,2,3,6-四氢邻苯二甲酰亚胺, 四氢邻苯二甲酰亚胺
谱图信息:
最多检出来源 Rattus norvegicus(general) 4.36%
分子结构信息
SMILES: C1C=CCC2C1C(=O)NC2=O
InChI: InChI=1S/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)
描述信息
Potential food contaminant arising from the metabolism of Captan
同义名列表
18 个代谢物同义名
3-alpha,4,7,7-alpha-Tetrahydro-1H-isoindole-1,3(2H)-dione; 3alpha,4,7,7alpha-Tetrahydro-1H-isoindole-1,3(2H)-dione; 3a,4,7,7a-Tetrahydro-cis-1H-isoindole-1,3(2H)-dione; 3a,4,7,7a-Tetrahydro-1H-isoindole-1,3(2H)-dione; 3Α,4,7,7α-tetrahydro-1H-isoindole-1,3(2H)-dione; 2,3,3a,4,7,7a-hexahydro-1H-isoindole-1,3-dione; 3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione; 3a,4,7,7a-Tetrahydro-isoindole-1,3-dione; Laquo deltaraquo 4-tetrahydrophthalimide; cis-4-Cycloxexene-1,2-dicarboximide; cis-4-Cyclohexene-1,2-dicarboximide; 4-Cyclohexene-1,2-dicarboximide; delta(4)-Tetrahydrophthalimide; Tetrahydrophthalic acid imide; 1,2,5,6-Tetrahydrophthalimide; 1,2,3,6-Tetrahydrophthalimide; Tetrahydrophthalimide; Tetrahydrophthalimide
数据库引用编号
7 个数据库交叉引用编号
- PubChem: 6808
- HMDB: HMDB0033903
- ChEMBL: CHEMBL3187796
- foodb: FDB012099
- chemspider: 6549
- CAS: 85-40-5
- PMhub: MS000099002
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。
亚细胞结构定位 | 关联基因列表 |
---|
文献列表
- Li-Xia Zhao, Mao-Jun Jiang, Jia-Jun Hu, Yue-Li Zou, Yuan Cheng, Tao Ren, Shuang Gao, Ying Fu, Fei Ye. Design, Synthesis, and Herbicidal Activity of Novel Diphenyl Ether Derivatives Containing Fast Degrading Tetrahydrophthalimide.
Journal of agricultural and food chemistry.
2020 Mar; 68(12):3729-3741. doi:
10.1021/acs.jafc.0c00947
. [PMID: 32125836] - Magdalena Podbielska, Ewa Szpyrka, Bartosz Piechowicz, Aneta Zwolak, Stanisław Sadło. Behavior of fluopyram and tebuconazole and some selected pesticides in ripe apples and consumer exposure assessment in the applied crop protection framework.
Environmental monitoring and assessment.
2017 Jul; 189(7):350. doi:
10.1007/s10661-017-6057-5
. [PMID: 28646436] - Anne K Gottzein, Frank Musshoff, Burkhard Madea. Systematic toxicological analysis revealing a rare case of captan ingestion.
Journal of forensic sciences.
2013 Jul; 58(4):1099-103. doi:
10.1111/1556-4029.12154
. [PMID: 23692481] - Roberto Heredia-Ortiz, Michèle Bouchard. Toxicokinetic modeling of captan fungicide and its tetrahydrophthalimide biomarker of exposure in humans.
Toxicology letters.
2012 Aug; 213(1):27-34. doi:
10.1016/j.toxlet.2011.09.023
. [PMID: 21979173] - Aurélie Berthet, Michèle Bouchard, David Vernez. Toxicokinetics of captan and folpet biomarkers in dermally exposed volunteers.
Journal of applied toxicology : JAT.
2012 Mar; 32(3):202-9. doi:
10.1002/jat.1659
. [PMID: 21381058] - Aurélie Berthet, Michèle Bouchard, Brigitta Danuser. Toxicokinetics of captan and folpet biomarkers in orally exposed volunteers.
Journal of applied toxicology : JAT.
2012 Mar; 32(3):194-201. doi:
10.1002/jat.1653
. [PMID: 21381057] - J de Cock, D Heederik, F Hoek, J Boleij, H Kromhout. Urinary excretion of tetrahydrophtalimide in fruit growers with dermal exposure to captan.
American journal of industrial medicine.
1995 Aug; 28(2):245-56. doi:
10.1002/ajim.4700280209
. [PMID: 8585521] - W H Newsome, J M Yeung, P G Collins. Development of enzyme immunoassay for captan and its degradation product tetrahydrophthalimide in foods.
Journal of AOAC International.
1993 Mar; 76(2):381-6. doi:
NULL
. [PMID: 8471862] - R I Krieger, T Thongsinthusak. Captan metabolism in humans yields two biomarkers, tetrahydrophthalimide (THPI) and thiazolidine-2-thione-4-carboxylic acid (TTCA) in urine.
Drug and chemical toxicology.
1993; 16(2):207-25. doi:
10.3109/01480549309031997
. [PMID: 8486100] - R T van Welie, P van Duyn, E K Lamme, P Jäger, B L van Baar, N P Vermeulen. Determination of tetrahydrophtalimide and 2-thiothiazolidine-4-carboxylic acid, urinary metabolites of the fungicide captan, in rats and humans.
International archives of occupational and environmental health.
1991; 63(3):181-6. doi:
10.1007/bf00381566
. [PMID: 1917068] - I S Silver, W C Dauterman. The toxicokinetics of (1R, cis)- and (1R, trans)- tetramethrin in the isolated perfused rat liver.
Xenobiotica; the fate of foreign compounds in biological systems.
1989 May; 19(5):509-19. doi:
10.3109/00498258909042290
. [PMID: 2750207] - S R Schoen, W L Winterlin. Gas chromatographic determination of the captan metabolite tetrahydrophthalimide in urine.
Journal - Association of Official Analytical Chemists.
1982 Nov; 65(6):1382-4. doi:
. [PMID: 7174580]
- D R Wybenga, F A Ibbott, D C Cannon. Determination of ionized calcium in serum that has been exposed to air.
Clinical chemistry.
1976 Jul; 22(7):1009-11. doi:
NULL
. [PMID: 6166]