heptanoate (BioDeep_00000229063)
Secondary id: BioDeep_00001872090
human metabolite
代谢物信息卡片
化学式: C7H13O2- (129.0915498)
中文名称:
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCCCCCC(=O)[O-]
InChI: InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)/p-1
描述信息
Heptanoic acid or heptanoate, also known as enanthylic acid, or enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Heptanoate is a very weakly acidic compound, is slightly soluble in water, but very soluble in ethanol and ether. It is an oily Liquid with an unpleasant, rancid odor that contributes to the odor of some rancid oils. Present in essential oils, such as violet leaf oil, palm oil, it is also found in apple, feijoa fruit, clove bud, ginger, black tea, morello cherry, grapes, rice bran, scallops, leek and other foodstuffs such as strawberry jam, soups and sauces. Heptanoic acid is used in the preparation of esters, such as ethyl heptanoate, which are used in fragrances and as artificial flavors. It is one of many additives in cigarettes. Heptanoic acid is used to esterify steroids in the preparation of drugs such as testosterone enanthate, trenbolone enanthate, drostanolone enanthate, and methenolone enanthate (Primobolan). It is used as one of the components in washing solutions and used to assist lye peeling (by immersion into a lye solution) of fruit and vegetables.
Heptanoate, also known as heptanoic acid or enanthate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Heptanoate is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Heptanoate can be found in a number of food items such as highbush blueberry, horseradish tree, asparagus, and yellow wax bean, which makes heptanoate a potential biomarker for the consumption of these food products. Heptanoic acid, also called enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but very soluble in ethanol and ether .
同义名列表
26 个代谢物同义名
Heptanoic acid, ion(1-); 1-Hexanecarboxylic acid; 1-Hexanecarboxylate; Heptanoate, ion(1-); CH3-[CH2]5-COO(-); Oenanthylic acid; n-heptanoic acid; N-Heptylic acid; Enanthylic acid; HEPTANOIC ACID; Oenanthic acid; N-Heptoic acid; Enanthic acid; Heptylic acid; Heptoic acid; Oenanthylate; N-Heptanoate; Enanthylate; N-Heptylate; Heptanoate; N-Heptoate; Oenanthate; Heptylate; Enanthate; Heptoate; (7:0)
数据库引用编号
7 个数据库交叉引用编号
- ChEBI: CHEBI:32362
- PubChem: 93052
- HMDB: HMDB0304376
- MetaCyc: CPD-7619
- foodb: FDB030902
- chemspider: 84004
- CAS: 7563-37-3
分类词条
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。
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。