AB-Chminaca (BioDeep_00000175518)
human metabolite blood metabolite
代谢物信息卡片
化学式: C20H28N4O2 (356.2212)
中文名称:
谱图信息:
最多检出来源 Mus musculus(blood) 52.78%
分子结构信息
SMILES: CC(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3
InChI: InChI=1S/C20H28N4O2/c1-13(2)17(19(21)25)22-20(26)18-15-10-6-7-11-16(15)24(23-18)12-14-8-4-3-5-9-14/h6-7,10-11,13-14,17H,3-5,8-9,12H2,1-2H3,(H2,21,25)(H,22,26)
描述信息
同义名列表
6 个代谢物同义名
N-(1-(Aminocarbonyl)-2-methylpropyl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide; N-(1-Amino-3-methyl-1-oxobutan-2-yl)-1-(cyclohexylmethyl)-1H-indazole-3-carboxamide; 2-{[1-(cyclohexylmethyl)-1H-indazol-3-yl]formamido}-3-methylbutanimidate; 2-{[1-(cyclohexylmethyl)-1H-indazol-3-yl]formamido}-3-methylbutanamide; 2-{[1-(cyclohexylmethyl)indazol-3-yl]formamido}-3-methylbutanamide; AB-Chminaca
数据库引用编号
6 个数据库交叉引用编号
- PubChem: 70969900
- HMDB: HMDB0247738
- chemspider: 52084458
- CAS: 1805788-79-7
- CAS: 1185887-21-1
- KEGG: C22702
分类词条
相关代谢途径
Reactome()
BioCyc()
PlantCyc()
代谢反应
个相关的代谢反应过程信息。
Reactome()
BioCyc()
WikiPathways()
Plant Reactome()
INOH()
PlantCyc()
COVID-19 Disease Map()
PathBank()
PharmGKB()
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 |
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文献列表
- Jessica A Hvozdovich, Chris W Chronister, Barry K Logan, Bruce A Goldberger. Case Report: Synthetic Cannabinoid Deaths in State of Florida Prisoners.
Journal of analytical toxicology.
2020 Apr; 44(3):298-300. doi:
10.1093/jat/bkz092
. [PMID: 31776572] - Maren Hermanns-Clausen, Dieter Müller, Josephine Kithinji, Verena Angerer, Florian Franz, Florian Eyer, Hartmud Neurath, Gesine Liebetrau, Volker Auwärter. Acute side effects after consumption of the new synthetic cannabinoids AB-CHMINACA and MDMB-CHMICA.
Clinical toxicology (Philadelphia, Pa.).
2018 06; 56(6):404-411. doi:
10.1080/15563650.2017.1393082
. [PMID: 29072524] - Rachelle Abouchedid, Simon Hudson, Natalie Thurtle, Takahiro Yamamoto, James H Ho, George Bailey, Michelle Wood, Nele Sadones, Christophe P Stove, Alison Dines, John R H Archer, David M Wood, Paul I Dargan. Analytical confirmation of synthetic cannabinoids in a cohort of 179 presentations with acute recreational drug toxicity to an Emergency Department in London, UK in the first half of 2015.
Clinical toxicology (Philadelphia, Pa.).
2017 Jun; 55(5):338-345. doi:
10.1080/15563650.2017.1287373
. [PMID: 28421836] - Cornelius Hess, Jacqueline Murach, Lynn Krueger, Lisa Scharrenbroch, Michael Unger, Burkhard Madea, Konrad Sydow. Simultaneous detection of 93 synthetic cannabinoids by liquid chromatography-tandem mass spectrometry and retrospective application to real forensic samples.
Drug testing and analysis.
2017 May; 9(5):721-733. doi:
10.1002/dta.2030
. [PMID: 27400642] - Amin Wurita, Koutaro Hasegawa, Kayoko Minakata, Kunio Gonmori, Hideki Nozawa, Itaru Yamagishi, Osamu Suzuki, Kanako Watanabe. Identification and quantification of metabolites of AB-CHMINACA in a urine specimen of an abuser.
Legal medicine (Tokyo, Japan).
2016 Mar; 19(?):113-8. doi:
10.1016/j.legalmed.2015.07.011
. [PMID: 26257317] - Claudio Erratico, Noelia Negreira, Helia Norouzizadeh, Adrian Covaci, Hugo Neels, Kristof Maudens, Alexander L N van Nuijs. In vitro and in vivo human metabolism of the synthetic cannabinoid AB-CHMINACA.
Drug testing and analysis.
2015 Oct; 7(10):866-76. doi:
10.1002/dta.1796
. [PMID: 25865117]