2,2-Dimethylsuccinic acid (BioDeep_00000017748)

 

Secondary id: BioDeep_00000405507, BioDeep_00000605770

human metabolite PANOMIX_OTCML-2023 Endogenous Volatile Flavor Compounds


代谢物信息卡片


alpha,alpha-Dimethyl-succinic acid

化学式: C6H10O4 (146.057906)
中文名称: 2,2-二甲基琥珀酸, 2,2-二甲基丁二酸
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 16.67%

分子结构信息

SMILES: CC(C)(CC(=O)O)C(=O)O
InChI: InChI=1S/C6H10O4/c1-6(2,5(9)10)3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)

描述信息

2,2-dimethylsuccinic acid is an alpha,omega-dicarboxylic acid that is succinic acid substituted by two methyl groups at positions 2 and 2 respectively. It derives from a succinic acid. 2,2-Dimethylsuccinic acid, also known as 2,2-dimethylbutanedioate, belongs to the class of organic compounds known as methyl-branched fatty acids. These are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. 2,2-Dimethylsuccinic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
2,2-Dimethylsuccinic acid has been identified in urine samples from children investigated for a possible inherited metabolic disease (PMID 2134344), and in children fed elemental or protein-hydrolysate formulas that use Octanylsuccinic acid-modified cornstarch as an emulsifying agent (PMID 1805153) [HMDB]
2,2-Dimethylsuccinic acid belongs to the class of organic compounds known as methyl-branched fatty acids.

同义名列表

11 个代谢物同义名

alpha,alpha-Dimethyl-succinic acid; alpha,alpha-Dimethyl-succinate; 2,2-Dimethylbutanedioic acid; 2,2-Dimethyl succinic acid; 2,2-Dimethylsuccinic acid; 2,2-Dimethylbutanedioate; 2,2-Dimethyl succinate; 2,2-Dimethyl-succinate; 2,2,-Dimethylsuccinate; 2,2-Dimethylsuccinate; 2,2-Dimethylsuccinic acid



数据库引用编号

10 个数据库交叉引用编号

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)

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

  • Emiliano Panieri, Gabriele Toietta, Marina Mele, Valentina Labate, Sofia Chiatamone Ranieri, Salvatore Fusco, Valentina Tesori, Annalisa Antonini, Giuseppe Maulucci, Marco De Spirito, Tommaso Galeotti, Giovambattista Pani. Nutrient withdrawal rescues growth factor-deprived cells from mTOR-dependent damage. Aging. 2010 Aug; 2(8):487-503. doi: 10.18632/aging.100183. [PMID: 20739737]
  • Zhiming Wen, Stephan T Stern, David E Martin, Kuo-Hsiung Lee, Philip C Smith. Structural characterization of anti-HIV drug candidate PA-457 [3-O-(3',3'-dimethylsuccinyl)-betulinic acid] and its acyl glucuronides in rat bile and evaluation of in vitro stability in human and animal liver microsomes and plasma. Drug metabolism and disposition: the biological fate of chemicals. 2006 Sep; 34(9):1436-42. doi: 10.1124/dmd.106.009233. [PMID: 16751262]
  • Masahiko Kimura, Yuki Hasegawa, Katuhiro Nakagawa, Mituharu Kajita, Kazuyoshi Watanabe, Seiji Yamaguchi. A sensitive method for 4-hydroxybutyric acid in urine using gas chromatography-mass spectrometry. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2003 Jul; 792(1):141-4. doi: 10.1016/s1570-0232(03)00355-6. [PMID: 12829007]
  • Sadaaki Tamura, Narihiko Fukamiya, Masayoshi Okano, Harukuni Tokuda, Wataru Aoi, Teruo Mukainaka, Hoyoku Nishino, Kiyoshi Tagahara, Kazuo Koike. Cancer chemopreventive effect of quassinoid derivatives. Introduction of side chain to shinjulactone C for enhancement of inhibitory effect on Epstein-Barr virus activation. Cancer letters. 2002 Nov; 185(1):47-51. doi: 10.1016/s0304-3835(02)00302-6. [PMID: 12142078]
  • Birgitta C Burckhardt, Britta Drinkuth, Christine Menzel, Angela König, Jürgen Steffgen, Stephen H Wright, Gerhard Burckhardt. The renal Na(+)-dependent dicarboxylate transporter, NaDC-3, translocates dimethyl- and disulfhydryl-compounds and contributes to renal heavy metal detoxification. Journal of the American Society of Nephrology : JASN. 2002 Nov; 13(11):2628-38. doi: 10.1097/01.asn.0000033463.58641.f9. [PMID: 12397032]
  • Toshihiro Shinka, Yoshito Inoue, Morimasa Ohse, Akira Ito, Masaharu Ohfu, Shinichi Hirose, Tomiko Kuhara. Rapid and sensitive detection of urinary 4-hydroxybutyric acid and its related compounds by gas chromatography-mass spectrometry in a patient with succinic semialdehyde dehydrogenase deficiency. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2002 Aug; 776(1):57-63. doi: 10.1016/s1570-0232(02)00126-5. [PMID: 12127325]
  • A M Pajor, R Gangula, X Yao. Cloning and functional characterization of a high-affinity Na(+)/dicarboxylate cotransporter from mouse brain. American journal of physiology. Cell physiology. 2001 May; 280(5):C1215-23. doi: 10.1152/ajpcell.2001.280.5.c1215. [PMID: 11287335]