Thiiranepropanenitrile (BioDeep_00000621932)

natural product

代谢物信息卡片

3-(thiiran-2-yl)propanenitrile

化学式: C5H7NS (113.0299)
中文名称: 噻吩丙腈
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1C(S1)CCC#N
InChI: InChI=1S/C5H7NS/c6-3-1-2-5-4-7-5/h5H,1-2,4H2

描述信息

同义名列表

9 个代谢物同义名

Thiiranepropanenitrile; 3-(thiiran-2-yl)propanenitrile; Thiiranepropanenitrile, 9ci; (+-)-ThIIranepropanenitrile; 4,5-epithio-Valeronitrile; 1-cyano-3,4-Epithiobutane; 4,5-Epithiovaleronitrile; cyano-3,4-EPITHIOBUTANE; Thiiranepropanenitrile

数据库引用编号

6 个数据库交叉引用编号

ChEBI: CHEBI:193948
PubChem: 100582
Metlin: METLIN93148
CAS: 76786-81-7
CAS: 54096-45-6
LOTUS: LTS0198039

分类词条

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)

12 个相关的物种来源信息

3705 - Brassica: LTS0198039
3707 - Brassica juncea: 10.1080/00021369.1982.10865563
3707 - Brassica juncea: LTS0198039
3708 - Brassica napus: 10.1271/BBB1961.49.3587
3708 - Brassica napus: LTS0198039
3711 - Brassica rapa: 10.1016/S0031-9422(00)86946-0
3700 - Brassicaceae: LTS0198039
2759 - Eukaryota: LTS0198039
3398 - Magnoliopsida: LTS0198039
35493 - Streptophyta: LTS0198039
58023 - Tracheophyta: LTS0198039
33090 - Viridiplantae: LTS0198039

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

Mika Kato, Yuriko Imayoshi, Hisakatsu Iwabuchi, Koichiro Shimomura. Kinetic changes in glucosinolate-derived volatiles by heat-treatment and myrosinase activity in nakajimana (Brassica rapa L. cv. nakajimana). Journal of agricultural and food chemistry. 2011 Oct; 59(20):11034-9. doi: 10.1021/jf201626z. [PMID: 21913666]
Michael O Kelleher, Michael McMahon, Ian M Eggleston, Mark J Dixon, Keiko Taguchi, Masayuki Yamamoto, John D Hayes. 1-Cyano-2,3-epithiopropane is a novel plant-derived chemopreventive agent which induces cytoprotective genes that afford resistance against the genotoxic alpha,beta-unsaturated aldehyde acrolein. Carcinogenesis. 2009 Oct; 30(10):1754-62. doi: 10.1093/carcin/bgp182. [PMID: 19633057]
J L VanSteenhouse, J S Prescott, S A Barker. Identification of the 1-cyano-3,4-epithiobutane-derived urinary mercapturic acid N-acetyl-S-(4-cyano-2-thio-1-butyl)-cysteine in male Fischer 344 rats. Journal of applied toxicology : JAT. 2000 Jan; 20(1):1-10. doi: 10.1002/(sici)1099-1263(200001/02)20:1<1::aid-jat599>3.0.co;2-4. [PMID: 10641011]
J L VanSteenhouse, J S Prescott, D H Swenson. Protection from 1-cyano-3,4-epithiobutane nephrotoxicity by aminooxyacetic acid and effect on xenobiotic-metabolizing enzymes in male Fischer 344 rats. Journal of applied toxicology : JAT. 1999 Jul; 19(4):237-49. doi: 10.1002/(sici)1099-1263(199907/08)19:4<237::aid-jat569>3.0.co;2-7. [PMID: 10439337]
J L VanSteenhouse, M J Fettman, D H Gould. The effect of glutathione depletion by buthionine sulphoximine on 1-cyano-3,4-epithiobutane toxicity. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 1991 Mar; 29(3):153-7. doi: 10.1016/0278-6915(91)90032-3. [PMID: 2032656]
J L VanSteenhouse, M J Fettman, D H Gould. Sequential changes in hepatic and renal glutathione and development of renal karyomegaly in 1-cyano-3,4-epithiobutane toxicity in rats. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association. 1989 Nov; 27(11):731-9. doi: 10.1016/0278-6915(89)90078-1. [PMID: 2613119]