7-(3-Isothiocyanatopyrrolidin-1-yl)-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide (BioDeep_00000175619)
human metabolite blood metabolite
代谢物信息卡片
化学式: C13H15N5O3S2 (353.061628)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CN(C)S(=O)(=O)C1=CC=C(C2=NON=C12)N3CCC(C3)N=C=S
InChI: InChI=1S/C13H15N5O3S2/c1-17(2)23(19,20)11-4-3-10(12-13(11)16-21-15-12)18-6-5-9(7-18)14-8-22/h3-4,9H,5-7H2,1-2H3
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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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
- Shuuhei Takahashi, Hideaki Iizuka, Ryousuke Kuwabara, Yoko Naito, Tatsuya Sakamoto, Aya Miyagi, Mayu Onozato, Hideaki Ichiba, Takeshi Fukushima. Determination of l-tryptophan and l-kynurenine derivatized with (R)-4-(3-isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole by LC-MS/MS on a triazole-bonded column and their quantification in human serum.
Biomedical chromatography : BMC.
2016 Sep; 30(9):1481-6. doi:
10.1002/bmc.3709. [PMID: 26910189] - Tatsuya Sakamoto, Ryousuke Kuwabara, Shuhei Takahashi, Mayu Onozato, Hideaki Ichiba, Hideaki Iizuka, Takeshi Fukushima. Determination of D-serine in human serum by LC-MS/MS using a triazole-bonded column after pre-column derivatization with (S)-4-(3-isothiocyanatopyrrolidin-1-yl)-7- (N, N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole.
Analytical and bioanalytical chemistry.
2016 Jan; 408(2):517-26. doi:
10.1007/s00216-015-9119-y. [PMID: 26542833] - Shinsuke Inagaki, Sayuri Taniguchi, Haruo Hirashima, Tatsuya Higashi, Jun Zhe Min, Ruri Kikura-Hanajiri, Yukihiro Goda, Toshimasa Toyo'oka. HPLC enantioseparation of α,α-diphenyl-2-pyrrolidinemethanol and methylphenidate using a chiral fluorescent derivatization reagent and its application to the analysis of rat plasma.
Journal of separation science.
2010 Oct; 33(20):3137-43. doi:
10.1002/jssc.201000479. [PMID: 20865756] - T Toyo'oka, D Jin, N Tomoi, T Oe, H Hiranuma. R(-)-4-(3-Isothiocyanatopyrrolidin-1-yl)-7-(N,N-dimethylaminosulfonyl)-2,1,3-benzoxadiazole, a fluorescent chiral tagging reagent: sensitive resolution of chiral amines and amino acids by reversed-phase liquid chromatography.
Biomedical chromatography : BMC.
2001 Feb; 15(1):56-67. doi:
10.1002/bmc.53. [PMID: 11180302] - D Jin, T Miyahara, T Oe, T Toyo'oka. Determination of D-amino acids labeled with fluorescent chiral reagents, R(-)- and S(+)-4-(3-isothiocyanatopyrrolidin-1-yl)-7-(N, N-dimethylaminosulfonyl)-2,1,3-benzoxadiazoles, in biological and food samples by liquid chromatography.
Analytical biochemistry.
1999 Apr; 269(1):124-32. doi:
10.1006/abio.1998.3090. [PMID: 10094782] - Y M Liu, M Schneider, C M Sticha, T Toyooka, J V Sweedler. Separation of amino acid and peptide stereoisomers by nonionic micelle-mediated capillary electrophoresis after chiral derivatization.
Journal of chromatography. A.
1998 Mar; 800(2):345-54. doi:
10.1016/s0021-9673(97)01137-0. [PMID: 9561768] - T Toyo'oka, M Toriumi, Y Ishii. Enantioseparation of beta-blockers labelled with a chiral fluorescent reagent, R (-)-DBD-PyNCS, by reversed-phase liquid chromatography.
Journal of pharmaceutical and biomedical analysis.
1997 Jun; 15(9-10):1467-76. doi:
10.1016/s0731-7085(96)02026-2. [PMID: 9226577]