AI3-33290 (BioDeep_00000863717)

Main id: BioDeep_00000023457

代谢物信息卡片

Butanoic acid, hexyl ester

化学式: C10H20O2 (172.14632200000003)
中文名称: 丁酸己酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCCOC(=O)CCC
InChI: InChI=1S/C10H20O2/c1-3-5-6-7-9-12-10(11)8-4-2/h3-9H2,1-2H3

描述信息

同义名列表

18 个代谢物同义名

Butanoic acid, hexyl ester; butanoic acid hexyl ester; Butyric acid, hexyl ester; Hexyl butyrate (natural); butyric acid hexyl ester; N-Hexyl N-butanoate; N-Hexyl butanoate; 1-Hexyl butyrate; EINECS 220-136-6; n-Hexyl butyrate; W256803_ALDRICH; W256811_ALDRICH; Hexyl butanoate; HEXYL BUTYRATE; FEMA No. 2568; BRN 1754469; 2639-63-6; AI3-33290

数据库引用编号

5 个数据库交叉引用编号

ChEBI: CHEBI:87559
PubChem: 17525
ChEMBL: CHEMBL3182794
CAS: 2639-63-6
RefMet: Hexyl butanoate

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)

38 个相关的物种来源信息

33090 木瓜: -
13422 菊花: -
71611 Malpighia glabra: 10.1016/S0308-8146(00)00152-7
151847 Malpighia emarginata: 10.1016/S0308-8146(00)00152-7
260130 Acca sellowiana: 10.3390/MOLECULES24112053
3483 Cannabis sativa: 10.1021/NP50008A001
253082 Pelargonium quercifolium: 10.1080/10412905.1991.9697953
39329 Lavandula angustifolia: 10.1080/10412905.1997.9700727
80338 Spondias mombin:
79217 Citrus iyo: 10.1271/BBB1961.47.1841
360621 Heracleum persicum: 10.1055/S-2007-969621
2878271 Thymus camphoratus: 10.1016/S0031-9422(97)00117-9
2708762 Cleistopholis patens: 10.1055/S-2006-962450
33117 Mandragora officinarum: 10.1016/J.PHYTOCHEM.2005.07.016
389206 Mandragora autumnalis: 10.1016/J.PHYTOCHEM.2005.07.016
360619 Heracleum antasiaticum: 10.1007/BF02236436
39331 Lavandula latifolia: 10.1080/10412905.1993.9698256
2586704 Pternistria bispina: 10.1071/CH9670395
51239 Vanilla planifolia: 10.1006/FSTL.1996.0194
36596 Prunus armeniaca: 10.1021/JF00092A031
71611 Malpighia glabra: 10.1016/S0308-8146(00)00152-7
151847 Malpighia emarginata: 10.1016/S0308-8146(00)00152-7
260130 Acca sellowiana: 10.3390/MOLECULES24112053
3483 Cannabis sativa: 10.1021/NP50008A001
253082 Pelargonium quercifolium: 10.1080/10412905.1991.9697953
39329 Lavandula angustifolia: 10.1080/10412905.1997.9700727
80338 Spondias mombin:
79217 Citrus iyo: 10.1271/BBB1961.47.1841
360621 Heracleum persicum: 10.1055/S-2007-969621
2878271 Thymus camphoratus: 10.1016/S0031-9422(97)00117-9
2708762 Cleistopholis patens: 10.1055/S-2006-962450
33117 Mandragora officinarum: 10.1016/J.PHYTOCHEM.2005.07.016
389206 Mandragora autumnalis: 10.1016/J.PHYTOCHEM.2005.07.016
360619 Heracleum antasiaticum: 10.1007/BF02236436
39331 Lavandula latifolia: 10.1080/10412905.1993.9698256
2586704 Pternistria bispina: 10.1071/CH9670395
51239 Vanilla planifolia: 10.1006/FSTL.1996.0194
36596 Prunus armeniaca: 10.1021/JF00092A031

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

Peng-Fei Lu, Ling-Qiao Huang, Chen-Zhu Wang. Identification and field evaluation of pear fruit volatiles attractive to the oriental fruit moth, Cydia molesta. Journal of chemical ecology. 2012 Aug; 38(8):1003-16. doi: 10.1007/s10886-012-0152-4. [PMID: 22730107]
Dong H Cha, Thomas H Q Powell, Jeffrey L Feder, Charles E Linn. Identification of fruit volatiles from green hawthorn (Crataegus viridis) and blueberry hawthorn (Crataegus brachyacantha) host plants attractive to different phenotypes of Rhagoletis pomonella flies in the southern United States. Journal of chemical ecology. 2011 Sep; 37(9):974-83. doi: 10.1007/s10886-011-0014-5. [PMID: 21887525]
Fariba Sharififar, Mohammad Hassan Moshafi, Gholamreza Dehghan-Nudehe, Alieh Ameri, Fahimeh Alishahi, Amin Pourhemati. Bioassay screening of the essential oil and various extracts from 4 spices medicinal plants. Pakistan journal of pharmaceutical sciences. 2009 Jul; 22(3):317-22. doi: ". [PMID: 19553182]
P J Innocenzi, D Hall, J V Cross, H Hesketh. Attraction of male European tarnished plant bug, Lygus rugulipennis to components of the female sex pheromone in the field. Journal of chemical ecology. 2005 Jun; 31(6):1401-13. doi: 10.1007/s10886-005-5293-2. [PMID: 16222779]
P J Innocenzi, D R Hall, J V Cross, H Masuh, S J Phythian, S Chittamaru, S Guarino. Investigation of long-range female sex pheromone of the European tarnished plant bug, Lygus rugulipennis: chemical, electrophysiological, and field studies. Journal of chemical ecology. 2004 Aug; 30(8):1509-29. doi: 10.1023/b:joec.0000042065.19044.6d. [PMID: 15537156]
Qing-He Zhang, Jeffery R Aldrich. Male-produced anti-sex pheromone in a plant bug. Die Naturwissenschaften. 2003 Nov; 90(11):505-8. doi: 10.1007/s00114-003-0466-8. [PMID: 14610647]
A R Wardle, J H Borden, H D Pierce, R Gries. Volatile compounds released by disturbed and calm adults of the tarnished plant bug, Lygus lineolaris. Journal of chemical ecology. 2003 Apr; 29(4):931-44. doi: 10.1023/a:1022987901330. [PMID: 12775153]