SFE 16:0 (BioDeep_00000630645)

Secondary id: BioDeep_00000318715, BioDeep_00000868216

PANOMIX_OTCML-2023 Volatile Flavor Compounds

代谢物信息卡片

Methyl 2,6,10-trimethyl-dodecanoate

化学式: C16H32O2 (256.2402172)
中文名称: 肉豆蔻酸乙酯, 肉豆蔻醇乙酸酯, 十四酸乙酯
谱图信息: 最多检出来源 Homo sapiens(blood) 10.04%

分子结构信息

SMILES: CCCCCCCCCCCCCC(=O)OCC
InChI: InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3

描述信息

Tetradecyl acetate is a sex pheromone produced by Ctenopseustis obliquana females. Tetradecyl acetate can be used to disrupt the mating of pest species[1][2].
Tetradecyl acetate is a sex pheromone produced by Ctenopseustis obliquana females. Tetradecyl acetate can be used to disrupt the mating of pest species[1][2].

同义名列表

12 个代谢物同义名

Butyl dodecanoate; SFE 16:0; Methyl 2,6,10-trimethyl-dodecanoate; WE(1:0/12:0(2Me,6Me,10Me)); Ethyl tetradecanoate; WE(2:0/14:0); dodecyl butyrate; WE(12:0/4:0); Tetradecyl acetate; Myristyl acetate; Ethyl tetradecanoate; 1-Tetradecyl acetate

数据库引用编号

17 个数据库交叉引用编号

ChEBI: CHEBI:84849
ChEBI: CHEBI:174367
ChEBI: CHEBI:179737
PubChem: 31283
PubChem: 245572
PubChem: 12531
ChEMBL: CHEMBL207555
ChEMBL: CHEMBL2228462
LipidMAPS: LMFA07010793
LipidMAPS: LMFA07010485
LipidMAPS: LMFA07010468
LipidMAPS: LMFA07010424
LipidMAPS: LMFA07010331
CAS: 124-06-1
CAS: 3724-61-6
CAS: 638-59-5
medchemexpress: HY-W042284

分类词条

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)

15 个相关的物种来源信息

40949 - Angelica archangelica: 10.1021/JF00046A030
329675 - Daphne odora: 10.1271/BBB1961.47.483
2715869 - Daphne papyracea: 10.1271/BBB1961.47.483
188493 - Etlingera elatior: 10.1080/10412905.1993.9698191
4397 - Hamamelis virginiana: 10.1055/S-2006-957420
151069 - Litchi chinensis: 10.1021/JF60230A021
1343339 - Lophyra flexuosa: 10.1007/BF01982317
389206 - Mandragora autumnalis:
33117 - Mandragora officinarum:
29780 - Mangifera indica: 10.1016/0031-9422(88)80124-9
5098 - Monascus purpureus: 10.1007/BF02818582
120290 - Psidium guajava: 10.1016/0031-9422(82)80138-6
200489 - Saussurea involucrata: 10.1080/10412905.1992.9698080
40951 - Seseli: 10.1016/S0031-9422(97)00016-2
94328 - Zingiber officinale: 10.1271/BBB1961.52.2961

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

David M Suckling, Gillian F McLaren, Lee-Anne M Manning, Vanessa J Mitchell, Bernie Attfield, Kate Colhoun, Ashraf M El-Sayed. Development of single-dispenser pheromone suppression of Epiphyas postvittana, Planotortrix octo and Ctenopseustis obliquana in New Zealand stone fruit orchards. Pest management science. 2012 Jun; 68(6):928-34. doi: 10.1002/ps.3252. [PMID: 22337555]
Ashraf M El-Sayed, Vanessa J Mitchell, Lee-Anne M Manning, David Max Suckling. New sex pheromone blend for the lightbrown apple moth, Epiphyas postvittana. Journal of chemical ecology. 2011 Jun; 37(6):640-6. doi: 10.1007/s10886-011-9964-x. [PMID: 21573864]
Jennifer Peterson, H Lester Kirchner, Wei Xue, Sonia Minnes, Lynn T Singer, Cynthia F Bearer. Fatty acid ethyl esters in meconium are associated with poorer neurodevelopmental outcomes to two years of age. The Journal of pediatrics. 2008 Jun; 152(6):788-92. doi: 10.1016/j.jpeds.2007.11.009. [PMID: 18492517]
Yong Liu, Ju-Lian Chen, Deng-Fa Cheng. [Effects of wheat leaf surface waxes on the feeding of two wheat aphid species]. Ying yong sheng tai xue bao = The journal of applied ecology. 2007 Aug; 18(8):1785-8. doi: ". [PMID: 17974245]
Yu-Yun Hsiao, Wen-Chieh Tsai, Chang-Sheng Kuoh, Tian-Hsiang Huang, Hei-Chia Wang, Tian-Shung Wu, Yann-Lii Leu, Wen-Huei Chen, Hong-Hwa Chen. Comparison of transcripts in Phalaenopsis bellina and Phalaenopsis equestris (Orchidaceae) flowers to deduce monoterpene biosynthesis pathway. BMC plant biology. 2006 Jul; 6(?):14. doi: 10.1186/1471-2229-6-14. [PMID: 16836766]
V Auwärter, B Kiessling, F Pragst. Squalene in hair--a natural reference substance for the improved interpretation of fatty acid ethyl ester concentrations with respect to alcohol misuse. Forensic science international. 2004 Oct; 145(2-3):149-59. doi: 10.1016/j.forsciint.2004.04.030. [PMID: 15451087]
F Pragst, V Auwärter, B Kiessling, C Dyes. Wipe-test and patch-test for alcohol misuse based on the concentration ratio of fatty acid ethyl esters and squalene CFAEE/CSQ in skin surface lipids. Forensic science international. 2004 Jul; 143(2-3):77-86. doi: 10.1016/j.forsciint.2004.02.041. [PMID: 15240027]
Friedrich Martin Wurst, Stefan Alexson, Manfred Wolfersdorf, Gaby Bechtel, Stephan Forster, Christer Alling, Steina Aradóttir, Katja Jachau, Peter Huber, John P Allen, Volker Auwärter, Fritz Pragst. Concentration of fatty acid ethyl esters in hair of alcoholics: comparison to other biological state markers and self reported-ethanol intake. Alcohol and alcoholism (Oxford, Oxfordshire). 2004 Jan; 39(1):33-8. doi: 10.1093/alcalc/agh005. [PMID: 14691072]