WLN: 4V2 (BioDeep_00000863300)
代谢物信息卡片
化学式: C7H14O (114.1045)
中文名称: 3-庚酮
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCCCC(=O)CC
InChI: InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3
描述信息
同义名列表
40 个代谢物同义名
4-01-00-03321 (Beilstein Handbook Reference); InChI=1\C7H14O\c1-3-5-6-7(8)4-2\h3-6H2,1-2H; Ethyl butyl ketone 3-heptanone; Heptan-3-on [Dutch, German]; Etilbutilchetone [Italian]; Ethylbutylcetone [French]; Aethylbutylketon [German]; Ethylbutylketon [Dutch]; Eptan-3-one [Italian]; 3-Heptanone solution; N-Butyl ethyl ketone; Ethyl-N-butyl ketone; Ethyl N-butyl ketone; Ethyl butyl ketone; Butyl ethyl ketone; Ethylbutylcetone; Etilbutilchetone; EINECS 203-388-1; Aethylbutylketon; W254509_ALDRICH; Ethylbutylketon; 551325_ALDRICH; FEMA No. 2545; ZINC01586745; 46203_RIEDEL; Heptan-3-one; Eptan-3-one; BRN 0506161; 03220_FLUKA; Heptan-3-ON; 3-Heptanone; H6511_SIGMA; 02477_FLUKA; HSDB 1816; AI3-19684; 106-35-4; NSC 8448; WLN: 4V2; NSC8448; 3-Heptanone
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)
2 个相关的物种来源信息
- 155124 - Aspalathus linearis: 10.1021/JF00062A024
- 33090 - 柴胡: -
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
- Catarina L Silva, Mário Passos, José S Câmara. Solid phase microextraction, mass spectrometry and metabolomic approaches for detection of potential urinary cancer biomarkers--a powerful strategy for breast cancer diagnosis.
Talanta.
2012 Jan; 89(?):360-8. doi:
10.1016/j.talanta.2011.12.041. [PMID: 22284503] - S Erhart, A Amann, E Haberlandt, G Edlinger, A Schmid, W Filipiak, K Schwarz, P Mochalski, K Rostasy, D Karall, S Scholl-Bürgi. 3-Heptanone as a potential new marker for valproic acid therapy.
Journal of breath research.
2009 Mar; 3(1):016004. doi:
10.1088/1752-7155/3/1/016004. [PMID: 21383452] - Maaike Bruinsma, Maarten A Posthumus, Roland Mumm, Martin J Mueller, Joop J A van Loon, Marcel Dicke. Jasmonic acid-induced volatiles of Brassica oleracea attract parasitoids: effects of time and dose, and comparison with induction by herbivores.
Journal of experimental botany.
2009; 60(9):2575-87. doi:
10.1093/jxb/erp101. [PMID: 19451186] - G Tornambé, A Cornu, I Verdier-Metz, P Pradel, N Kondjoyan, G Figueredo, S Hulin, B Martin. Addition of pasture plant essential oil in milk: influence on chemical and sensory properties of milk and cheese.
Journal of dairy science.
2008 Jan; 91(1):58-69. doi:
10.3168/jds.2007-0154. [PMID: 18096925] - V Walker, G A Mills. Urine 4-heptanone: a beta-oxidation product of 2-ethylhexanoic acid from plasticisers.
Clinica chimica acta; international journal of clinical chemistry.
2001 Apr; 306(1-2):51-61. doi:
10.1016/s0009-8981(01)00390-4. [PMID: 11282094] - J L O'Donoghue, W J Krasavage, G D DiVincenzo, G V Katz. Further studies on ketone neurotoxicity and interactions.
Toxicology and applied pharmacology.
1984 Feb; 72(2):201-9. doi:
10.1016/0041-008x(84)90304-1. [PMID: 6546457]
