AI3-18424 (BioDeep_00000870806)
Volatile Flavor Compounds
代谢物信息卡片
化学式: C5H9NS (115.0455674)
中文名称: 异硫氰酸丁酯
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCCCN=C=S
InChI: InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
描述信息
同义名列表
18 个代谢物同义名
Isothiocyanic acid, butyl ester; Butane, 1-isothiocyanato-; 1-Isothiocyanatobutane; N-Butyl isothiocyanate; Butyl isothiocyanate; n-Butyl mustard oil; Butyl mustard oil; EINECS 209-770-4; W408201_ALDRICH; 253790_ALDRICH; ZINC01733350; 20140_FLUKA; NSC 194808; NSC194808; AI3-18424; TL 00699; 592-82-5; Butyl isothiocyanate
数据库引用编号
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)
4 个相关的物种来源信息
- 52824 - Brassica carinata: 10.1016/0031-9422(88)83085-1
- 65558 - Capparis spinosa: 10.1016/S0031-6865(97)00023-X
- 75806 - Eutrema japonicum: 10.3136/NSKKK1962.37.4_256
- 33090 - 芥子: -
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
- Prabhjot Kaur, Davinder Singh, Gurdeep Singh, Shivani Attri, Dilpreet Singh, Manisha Sharma, Harpal Singh Buttar, Neena Bedi, Balbir Singh, Saroj Arora. Pharmacokinetics and toxicity profiling of 4-(methylthio)butyl isothiocyanate with special reference to pre-clinical safety assessment studies.
Toxicon : official journal of the International Society on Toxinology.
2022 Jun; 212(?):19-33. doi:
10.1016/j.toxicon.2022.03.016. [PMID: 35395273] - Sener Kurt, Ufuk Güneş, Emine M Soylu. In vitro and in vivo antifungal activity of synthetic pure isothiocyanates against Sclerotinia sclerotiorum.
Pest management science.
2011 Jul; 67(7):869-75. doi:
10.1002/ps.2126. [PMID: 21370393] - Nancy Frank, Mathieu Dubois, Till Goldmann, Adrienne Tarres, Elke Schuster, Fabien Robert. Semiquantitative analysis of 3-butenyl isothiocyanate to monitor an off-flavor in mustard seeds and glycosinolates screening for origin identification.
Journal of agricultural and food chemistry.
2010 Mar; 58(6):3700-7. doi:
10.1021/jf903513k. [PMID: 20180576] - W H Mennicke, K Görler, G Krumbiegel. Metabolism of some naturally occurring isothiocyanates in the rat.
Xenobiotica; the fate of foreign compounds in biological systems.
1983 Apr; 13(4):203-7. doi:
10.3109/00498258309052256. [PMID: 6624135] - J P Ward. Gamma-glutamyl transpeptidase. A sensitive indicator of renal ischaemic injury in experimental animals and renal homograft rejection in man.
Annals of the Royal College of Surgeons of England.
1975 Nov; 57(5):248-61. doi:
NULL. [PMID: 949]