Oenanthic ether (BioDeep_00000020798)
human metabolite Endogenous Volatile Flavor Compounds
代谢物信息卡片
化学式: C9H18O2 (158.1306728)
中文名称: 庚酸乙酯
谱图信息:
最多检出来源 Homo sapiens(feces) 4.64%
分子结构信息
SMILES: CCCCCCC(=O)OCC
InChI: InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3
描述信息
Found in fruits, e.g. apple, apricot, grapefruit, strawberry etcand is also present in pea, Parmesan cheese, butter, fish oil, hop oil, wine, Bantu beer, apple brandy. Flavouring agent; used in fruit aroma compositions
Oenanthic ether is an odorous substance (ester) (PMID 15474656) present in human sweat (PMID 8887339).
同义名列表
22 个代谢物同义名
Heptanoic acid, ethyl ester; Heptanoic acid ethyl ester; Enanthic acid ethyl ester; Heptanoate ethyl ester; Ethyl N-heptanoic acid; Enanthate ethyl ester; Ethyl heptanoic acid; Ethyl enanthic acid; Ethyl oenanthylate; Ethyl heptoic acid; Ethyl N-heptanoate; ETHYL HEPTANOATE; Enanthylic ether; Ethyl oenanthate; Oenanthic ether; Ethyl enanthate; Ethyl heptylate; Ethyl heptoate; Cognac oil; Grape oil; Wine oil; Ethyl heptanoate
数据库引用编号
11 个数据库交叉引用编号
- ChEBI: CHEBI:86618
- PubChem: 7797
- HMDB: HMDB0000798
- ChEMBL: CHEMBL3184220
- Wikipedia: Ethyl_heptanoate
- KNApSAcK: C00052891
- foodb: FDB008200
- chemspider: 7509
- CAS: 106-30-9
- PMhub: MS000050476
- RefMet: Oenanthic ether
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)
5 个相关的物种来源信息
- 4615 - Ananas comosus: 10.1021/JF60168A018
- 9606 - Homo sapiens: -
- 16719 - Juglans nigra: 10.1080/10412905.1993.9698259
- 371859 - Opuntia ficus-indica: 10.1021/JF60218A053
- 103349 - Vitis rotundifolia: 10.1021/JF00112A014
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
- Yucheng Sun, Jin Yin, Haifeng Cao, Chuanyou Li, Le Kang, Feng Ge. Elevated CO2 influences nematode-induced defense responses of tomato genotypes differing in the JA pathway.
PloS one.
2011; 6(5):e19751. doi:
10.1371/journal.pone.0019751. [PMID: 21629688] - David M Pettigrew, Pietro Roversi, Stephen G Davies, Angela J Russell, Susan M Lea. A structural study of the interaction between the Dr haemagglutinin DraE and derivatives of chloramphenicol.
Acta crystallographica. Section D, Biological crystallography.
2009 Jun; 65(Pt 6):513-22. doi:
10.1107/s0907444909005113. [PMID: 19465765] - Supratim Ghosh, Devin G Peterson, John N Coupland. Effects of droplet crystallization and melting on the aroma release properties of a model oil-in-water emulsion.
Journal of agricultural and food chemistry.
2006 Mar; 54(5):1829-37. doi:
10.1021/jf052262w. [PMID: 16506840] - Joseph A Zirrolli, Erica L Bradshaw, Michael E Long, Daniel L Gustafson. Rapid and sensitive LC/MS/MS analysis of the novel tyrosine kinase inhibitor ZD6474 in mouse plasma and tissues.
Journal of pharmaceutical and biomedical analysis.
2005 Sep; 39(3-4):705-11. doi:
10.1016/j.jpba.2005.04.024. [PMID: 15935603] - M De Wolf, H J Hilderson, A Lagrou, W Dierick. Lipolytic enzymes in bovine thyroid tissue. III. Lysophospholipase activity.
Archives internationales de physiologie et de biochimie.
1979 Feb; 87(1):1-18. doi:
10.3109/13813457909070481. [PMID: 92222] - K M Lovette, H Y Chuang, A F Mohammad, R G Mason. The subcellular distribution and partial characterization of cholinesterase activities of canine platelets.
Biochimica et biophysica acta.
1976 Apr; 428(2):355-68. doi:
10.1016/0304-4165(76)90043-x. [PMID: 6047]