(±)-2-Methylpentanoic acid (BioDeep_00000017696)
human metabolite PANOMIX_OTCML-2023 Endogenous
代谢物信息卡片
化学式: C6H12O2 (116.08372519999999)
中文名称: 2-甲基戊酸
谱图信息:
最多检出来源 Homo sapiens(feces) 97.06%
分子结构信息
SMILES: CCCC(C)C(=O)O
InChI: InChI=1S/C6H12O2/c1-3-4-5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
描述信息
2-Methylpentanoic acid is a member of the class of compounds known as methyl-branched fatty acids. Methyl-branched fatty acids are fatty acids with an acyl chain that has a methyl branch. Usually, they are saturated and contain only one or more methyl group. However, branches other than methyl may be present. Thus, 2-methyl valeric acid is considered to be a fatty acid lipid molecule. 2-methyl valeric acid is soluble (in water) and a very weakly acidic compound (based on its pKa). 2-Methylpentanoic acid is a cheese and sour tasting compound found in pepper (spice), which makes 2-methylpentanoic acid a potential biomarker for the consumption of this food product. Methyl pentanoate, commonly known as methyl valerate, is the methyl ester of pentanoic acid (valeric acid) with a fruity odor .
2-methylvaleric acid is a methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2. It has a role as a flavouring agent, a plant metabolite and a fragrance. It is a branched-chain saturated fatty acid, a methyl-branched fatty acid, a monocarboxylic acid and a short-chain fatty acid. It is a conjugate acid of a 2-methylvalerate.
2-Methylvaleric acid is a natural product found in Pelargonium graveolens with data available.
A methyl-branched fatty acid that is pentanoic acid which carries a methyl group at position 2.
(±)-2-Methylpentanoic acid is a flavouring ingredien
2-Methylvaleric acid (2-Methylpentanoic acid) is a short-chain fatty acid isolated from Campomanesia adamantium and dairy products. 2-Methylvaleric acid is also found in animal feces. 2-Methylvaleric acid is a flavor compound used for food-flavor ingredient, fragrances[1][2][3].
同义名列表
50 个代谢物同义名
4-02-00-00942 (Beilstein Handbook Reference); 2-Methylpentanoic acid, >=98\\%, FCC, FG; VALPROIC ACID IMPURITY L [EP IMPURITY]; Kyselina 2-methylvalerova [Czech]; 2-METHYLPENTANOIC ACID [FCC]; (+/-)-2-methylpentanoic acid; racemic 2-methylvaleric acid; (2RS)-2-Methylpentanoic Acid; (+-)-2-METHYLPENTANOIC ACID; 2-METHYLVALERIC ACID [FHFI]; (+/-)-2-Methylvaleric acid; .alpha.-Methylvaleric acid; 2-Methylvaleric acid, 98\\%; (±)-2-Methylpentanoic acid; Kyselina 2-methylvalerova; DL-2-METHYLPENTANOIC ACID; Pentanoic acid, 2-methyl-; alpha-Methylvaleric acid; 2-Pentanecarboxylic acid; 2-methyl-pentanoic acid; Methylpropylacetic acid; Pentanoic acid, methyl-; 2-Methyl-n-valeric acid; (2S)-2-methylpentanoate; Valeric acid, 2-methyl-; (±)-2-methylpentanoate; 2-Methylpentanoic acid; 2-methyl valeric acid; 2-Pentanecarboxylate; a-Methylvaleric acid; alpha-Methylvalerate; Α-methylvaleric acid; 2-Methylvaleric acid; 2-METHYLVALERICACID; 2-Methyl-N-valerate; Methylpropylacetate; 2-Methylpentanoate; 2-Methyl valerate; n-C3H7CH(CH3)COOH; a-Methylvalerate; 2-methylvalerate; Α-methylvalerate; UNII-26A19CG6J9; WLN: QVY3 & 1; Tox21_200935; CAS-97-61-0; 26A19CG6J9; FEMA 2754; AI3-26042; FA 6:0
数据库引用编号
16 个数据库交叉引用编号
- ChEBI: CHEBI:167644
- PubChem: 7341
- HMDB: HMDB0031580
- ChEMBL: CHEMBL1204680
- LipidMAPS: LMFA01020074
- MeSH: 2-methylvaleric acid
- ChemIDplus: 0000097610
- foodb: FDB008203
- chemspider: 7064
- CAS: 27936-41-0
- CAS: 22160-39-0
- CAS: 97-61-0
- medchemexpress: HY-W010516
- PMhub: MS000110442
- MetaboLights: MTBLC167644
- RefMet: 2-Methylvaleric acid
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)
3 个相关的物种来源信息
- 9606 - Homo sapiens: -
- 73200 - Pelargonium graveolens: 10.1021/JF60197A010
- 33090 - Plants: -
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
- Igor Jerković, Zvonimir Marijanović. Volatile composition screening of Salix spp. nectar honey: benzenecarboxylic acids, norisoprenoids, terpenes, and others.
Chemistry & biodiversity.
2010 Sep; 7(9):2309-25. doi:
10.1002/cbdv.201000021
. [PMID: 20860033]