Hexyl hexanoate (BioDeep_00000021878)
human metabolite Endogenous natural product
代谢物信息卡片
化学式: C12H24O2 (200.1776)
中文名称: 己酸己酯
谱图信息:
最多检出来源 Mus musculus(not specific) 1.11%
分子结构信息
SMILES: CCCCCC(OCCCCCC)=O
InChI: InChI=1S/C12H24O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h3-11H2,1-2H3
描述信息
Hexyl hexanoate, also known as capryl caproate or fema 2572, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Hexyl hexanoate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.
Hexyl hexanoate is used in fruit flavouring. It is found in many fruits, parmesan cheese, alcoholic beverages and black tea. It is a volatile component from fruit ripening.
同义名列表
21 个代谢物同义名
Hexanoic acid, hexyl ester; Hexanoic acid hexyl ester; N-Hexyl N-hexanoic acid; Hexanoate, hexyl ester; N-Hexyl hexanoic acid; Hexanoate hexyl ester; N-Hexyl caproic acid; N-Hexyl N-hexanoate; Capryl caproic acid; Hexyl hexanoic acid; Hexyl caproic acid; Hexyl hexoic acid; N-Hexyl hexanoate; Hexyl N-hexanoate; N-Hexyl caproate; Capryl caproate; HEXYL HEXANOATE; Hexyl caproate; Hexyl hexoate; FEMA 2572; Hexyl hexanoate
数据库引用编号
10 个数据库交叉引用编号
- ChEBI: CHEBI:156492
- PubChem: 22873
- HMDB: HMDB0033619
- ChEMBL: CHEMBL3187323
- KNApSAcK: C00053316
- foodb: FDB011707
- chemspider: 21430
- CAS: 6378-65-0
- PMhub: MS000073054
- LOTUS: LTS0063928
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)
57 个相关的物种来源信息
- 260130 - Acca sellowiana: 10.3390/MOLECULES24112053
- 4011 - Anacardiaceae: LTS0063928
- 4037 - Apiaceae: LTS0063928
- 6656 - Arthropoda: LTS0063928
- 4210 - Asteraceae: LTS0063928
- 80276 - Boswellia: LTS0063928
- 173701 - Boswellia sacra: 10.1055/S-2006-962745
- 173701 - Boswellia sacra: LTS0063928
- 4014 - Burseraceae: LTS0063928
- 3481 - Cannabaceae: LTS0063928
- 3482 - Cannabis: LTS0063928
- 3483 - Cannabis sativa: 10.1021/NP50008A001
- 3483 - Cannabis sativa: LTS0063928
- 3647 - Caricaceae: LTS0063928
- 2706 - Citrus: LTS0063928
- 43166 - Citrus aurantium: 10.1016/0031-9422(88)80123-7
- 41552 - Conyza: LTS0063928
- 186376 - Coreidae: LTS0063928
- 2759 - Eukaryota: LTS0063928
- 36668 - Formicidae: LTS0063928
- 40917 - Heracleum: LTS0063928
- 360619 - Heracleum antasiaticum: 10.1080/10412905.1993.9698208
- 360619 - Heracleum antasiaticum: LTS0063928
- 360621 - Heracleum persicum: 10.1055/S-2007-969621
- 360621 - Heracleum persicum: LTS0063928
- 9606 - Homo sapiens: -
- 50557 - Insecta: LTS0063928
- 4447 - Liliopsida: LTS0063928
- 3398 - Magnoliopsida: LTS0063928
- 33208 - Metazoa: LTS0063928
- 4640 - Musa: LTS0063928
- 89151 - Musa × paradisiaca: 10.1021/JF00035A046
- 4637 - Musaceae: LTS0063928
- 84546 - Oecophylla: LTS0063928
- 84561 - Oecophylla smaragdina: 10.1271/BBB1961.54.3335
- 84561 - Oecophylla smaragdina: LTS0063928
- 3754 - Prunus: LTS0063928
- 36596 - Prunus armeniaca: 10.1021/JF00092A031
- 36596 - Prunus armeniaca: LTS0063928
- 2068484 - Pternistria: LTS0063928
- 2586704 - Pternistria bispina: 10.1071/CH9670395
- 2586704 - Pternistria bispina: LTS0063928
- 3745 - Rosaceae: LTS0063928
- 23513 - Rutaceae: LTS0063928
- 43860 - Spondias: LTS0063928
- 80338 - Spondias mombin:
- 80338 - Spondias mombin: 10.1021/JF00008A025
- 80338 - Spondias mombin: 10.1080/10412905.1992.9698127
- 80338 - Spondias mombin: LTS0063928
- 35493 - Streptophyta: LTS0063928
- 52463 - Tordylium: LTS0063928
- 489417 - Tordylium apulum: 10.1080/10412905.1993.9698167
- 489417 - Tordylium apulum: LTS0063928
- 58023 - Tracheophyta: LTS0063928
- 262675 - Vasconcellea: LTS0063928
- 262696 - Vasconcellea × heilbornii: 10.1021/JF00065A006
- 33090 - Viridiplantae: LTS0063928
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 |
|---|
文献列表
- Islam El-Sharkawy, Daniel Manríquez, Francisco B Flores, Farid Regad, Mondher Bouzayen, Alain Latché, Jean-Claude Pech. Functional characterization of a melon alcohol acyl-transferase gene family involved in the biosynthesis of ester volatiles. Identification of the crucial role of a threonine residue for enzyme activity*.
Plant molecular biology.
2005 Sep; 59(2):345-62. doi:
10.1007/s11103-005-8884-y. [PMID: 16247561]
