Methyl nonanoate (BioDeep_00000026753)
human metabolite Endogenous
代谢物信息卡片
化学式: C10H20O2 (172.14632200000003)
中文名称: 壬酸甲酯
谱图信息:
最多检出来源 () 0%
分子结构信息
SMILES: CCCCCCCCC(=O)OC
InChI: InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
描述信息
Methyl nonanoate, also known as methyl pelargonate or 1-nonanecarboxylate, belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR, where R=fatty aliphatic tail or organyl group and R=methyl group. Methyl nonanoate can be obtained from the formal condensation of methanol and nonanoic acid. It is a colourless, oily liquid with a fruity, tropical or pear-like odour, used in perfumes and flavours. It has a waxy, wine-like, green celery flavour. Methyl nonanoate is a very hydrophobic molecule, with a high boiling point of 213 oC. It is practically insoluble in water with a measured water solubility of just 22.5 mgl/L. Outside the human body, methyl nonanoate is found in a number of foods including apples, bananas, blackberries, butter, blue cheese, grapes, hop oil, pineapples, baked potatoes, star fruit, strawberries, tobacco, vanilla and white wine. Methyl nonanoate exhibits nematicidal activity against root-knot and soybean cyst nematodes and was found to be toxic to nematodes at concentrations as low as 0.2 uL a.i./litre (PMID: 19274268).
Flavouring ingredient. Isolated from cloves, hops, hyssop oil, vanilla and some wines. Methyl nonanoate is found in many foods, some of which are cereals and cereal products, fruits, herbs and spices, and alcoholic beverages.
同义名列表
18 个代谢物同义名
Pelargonic acid methyl ester; Methyl nonanoic acid (ester); Nonanoic acid methyl ester; Methyl ester nonanoic acid; methyl nonanoate (ester); Pelargonate methyl ester; 1-Nonanecarboxylic acid; Methyl N-nonanoic acid; Methyl pelargonic acid; Methyl ester nonanoate; Methyl nonanoic acid; 1-Nonanecarboxylate; Methyl nonylic acid; Methyl pelargonate; Methyl N-nonanoate; METHYL NONANOATE; Methyl nonylate; FEMA 2724
数据库引用编号
10 个数据库交叉引用编号
- ChEBI: CHEBI:44499
- PubChem: 15606
- HMDB: HMDB0031264
- DrugBank: DB01631
- ChEMBL: CHEMBL1234788
- KNApSAcK: C00049004
- foodb: FDB003305
- chemspider: 14846
- CAS: 1731-84-6
- PMhub: MS000235568
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)
8 个相关的物种来源信息
- 155132 - Akebia trifoliata: 10.5650/JOS.56.59
- 649199 - Astragalus membranaceus: 10.1080/00021369.1987.10868496
- 119829 - Astragalus mongholicus: 10.1080/00021369.1987.10868496
- 329675 - Daphne odora: 10.1271/BBB1961.47.483
- 2715869 - Daphne papyracea: 10.1271/BBB1961.47.483
- 9606 - Homo sapiens: -
- 4146 - Olea europaea: 10.1016/S0031-9422(97)00730-9
- 174549 - Polygala senega: 10.1002/FFJ.2730100408
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
- Jarrod J Scott, Kevin J Budsberg, Garret Suen, Devin L Wixon, Teri C Balser, Cameron R Currie. Microbial community structure of leaf-cutter ant fungus gardens and refuse dumps.
PloS one.
2010 Mar; 5(3):e9922. doi:
10.1371/journal.pone.0009922
. [PMID: 20360970] - Kenji Kobata, Manami Kawaguchi, Tatsuo Watanabe. Enzymatic synthesis of a capsinoid by the acylation of vanillyl alcohol with fatty acid derivatives catalyzed by lipases.
Bioscience, biotechnology, and biochemistry.
2002 Feb; 66(2):319-27. doi:
10.1271/bbb.66.319
. [PMID: 11999404] - J Lautier, J L Chanal, J Guibert, J G Lagarrigue. Study of clofibric acid distribution, metabolism and model, in crab Pachygrapsus marmoratus (Decapoda, Brachyura).
Comparative biochemistry and physiology. C: Comparative pharmacology.
1977; 58(2C):173-5. doi:
10.1016/0306-4492(77)90100-9
. [PMID: 23930] - R D Holbert, J E Pearson, F M Gonzalez. Effect of sodium acetate infusion on renal function in the dog.
Archives internationales de pharmacodynamie et de therapie.
1976 Feb; 219(2):211-22. doi:
NULL
. [PMID: 5975]