Methyl geranate (BioDeep_00000871812)

human metabolite Endogenous

代谢物信息卡片

Methyl (2E)-3,7-dimethylocta-2,6-dienoic acid

化学式: C11H18O2 (182.1306728)
中文名称: 香叶酸甲酯,异构体混合物
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(=CCC/C(=C/C(=O)OC)/C)C
InChI: InChI=1S/C11H18O2/c1-9(2)6-5-7-10(3)8-11(12)13-4/h6,8H,5,7H2,1-4H3/b10-8+

描述信息

Methyl geranate, also known as methyl geranic acid or methyl (2e)-3,7-dimethylocta-2,6-dienoate, is a member of the class of compounds known as acyclic monoterpenoids. Acyclic monoterpenoids are monoterpenes that do not contain a cycle. Methyl geranate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Methyl geranate can be found in caraway, which makes methyl geranate a potential biomarker for the consumption of this food product. Methyl geranate exists in all eukaryotes, ranging from yeast to humans.
Methyl_geranate belongs to the family of Acyclic Monoterpenes. These are monoterpenes (compounds made of two consecutive isoprene units) that do not contain a cycle.

同义名列表

7 个代谢物同义名

Methyl (2E)-3,7-dimethylocta-2,6-dienoic acid; methyl (2E)-3,7-dimethylocta-2,6-dienoate; Methyl geranic acid; (E)-methyl geranate; Methylgeraniic acid; Methylgeraniate; Methyl geranate

数据库引用编号

7 个数据库交叉引用编号

ChEBI: CHEBI:166666
PubChem: 5365910
HMDB: HMDB0059816
foodb: FDB006016
CAS: 2349-14-6
CAS: 1189-09-9
RefMet: Methyl geranate

分类词条

C10 isoprenoids

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)

14 个相关的物种来源信息

260130 - Acca sellowiana: 10.3390/MOLECULES24112053
925377 - Aloysia citrodora: 10.1080/10412905.1994.9698440
542672 - Aloysia triphylla: 10.1080/10412905.1994.9698440
385370 - Aster scaber: 10.1021/JF00034A033
72900 - Baccharis dracunculifolia: 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
41492 - Bellis perennis: 10.1016/0031-9422(95)00183-8
329675 - Daphne odora: 10.1271/BBB1961.47.483
9606 - Homo sapiens: -
3486 - Humulus lupulus: 10.1021/JF9911850
295139 - Leptospermum scoparium: 10.1016/J.PHYTOCHEM.2004.03.019
119949 - Myrtus communis: 10.1016/J.PHYTOCHEM.2006.04.025
168695 - Salinispora tropica: 10.1002/CBIC.201600388
547782 - Symphyotrichum undulatum: 10.1021/JF00034A033
136225 - Zingiber mioga: 10.1271/BBB1961.55.1655

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。