SFE 12:0 (BioDeep_00000630629)

代谢物信息卡片

Butanoic acid, octylester

化学式: C12H24O2 (200.1776204)
中文名称: 癸酸乙酯, 丁酸辛酯, 乙酸癸酯
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCCCCC(OC(CCC)=O)CC
InChI: InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-14-12(2)13/h3-11H2,1-2H3

描述信息

同义名列表

10 个代谢物同义名

octan-3-yl butanoate; 2-Heptyl butyrate; SFE 12:0; ETHYL DECANOATE; Ethyl caprate; WE(2:0/10:0); Butanoic acid, octylester; Octyl butyrate; WE(8:0/4:0); DECYL ACETATE

数据库引用编号

16 个数据库交叉引用编号

ChEBI: CHEBI:87430
ChEBI: CHEBI:89726
ChEBI: CHEBI:179750
PubChem: 8048
PubChem: 61030
PubChem: 8167
ChEMBL: CHEMBL3184829
ChEMBL: CHEMBL4634201
ChEMBL: CHEMBL2228458
LipidMAPS: LMFA07010715
LipidMAPS: LMFA07010455
LipidMAPS: LMFA07010420
LipidMAPS: LMFA07010212
CAS: 110-38-3
CAS: 110-39-4
CAS: 112-17-4

分类词条

Short fatty esters [FA0710]

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)

70 个相关的物种来源信息

371859 Opuntia ficus-indica: 10.1021/JF60218A053
29780 Mangifera indica:
120290 Psidium guajava: 10.1016/0031-9422(82)80138-6
39367 Salvia rosmarinus: 10.3390/MOLECULES21111576
79217 Citrus iyo: 10.1271/BBB1961.47.1841
72900 Baccharis dracunculifolia: 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
103349 Vitis rotundifolia: 10.1021/JF00112A014
33117 Mandragora officinarum:
389206 Mandragora autumnalis:
3656 Cucumis melo: 10.1111/J.1365-2621.1987.TB14284.X
99501 Echinophora tenuifolia: 10.1002/FFJ.2730040206
28974 Averrhoa carambola: 10.1080/10412905.2000.9699557
253082 Pelargonium quercifolium: 10.1080/10412905.1991.9697953
489417 Tordylium apulum: 10.1080/10412905.1993.9698167
360621 Heracleum persicum: 10.1055/S-2007-969621
380073 Heracleum dissectum: 10.1021/NP50041A034
360619 Heracleum antasiaticum: 10.1080/10412905.1993.9698208
188493 Etlingera elatior: 10.1080/10412905.1993.9698191
580473 Persicaria odorata: 10.1080/10412905.1995.9698534
79217 Citrus iyo: 10.1271/BBB1961.47.1841
260635 Condea emoryi: 10.1021/NP50034A039
37334 Citrus maxima: 10.1271/BBB1961.55.2571
360621 Heracleum persicum: 10.1055/S-2007-969621
145953 Ophrys sphegodes: 10.1016/S0031-9422(00)81276-5
49558 Osmorhiza aristata: 10.1248/YAKUSHI1947.99.11_1116
33117 Mandragora officinarum: 10.1080/10412905.1998.9700991
389206 Mandragora autumnalis: 10.1080/10412905.1998.9700991
173701 Boswellia sacra: 10.1055/S-2006-962745
2706 Citrus: 10.1080/10412905.1993.9698179
57577 Trifolium pratense: 10.1021/JF00122A019
169607 Tagetes minuta: 10.1007/BF02269705
48103 Bupleurum fruticosum: 10.1080/10412905.1992.9698110
3435 Persea americana: 10.1021/JF00019A020
85571 Citrus reticulata: 10.1002/HLCA.19630460506
558547 Citrus deliciosa: 10.1002/HLCA.19630460506
371859 Opuntia ficus-indica: 10.1021/JF60218A053
29780 Mangifera indica:
120290 Psidium guajava: 10.1016/0031-9422(82)80138-6
39367 Salvia rosmarinus: 10.3390/MOLECULES21111576
79217 Citrus iyo: 10.1271/BBB1961.47.1841
72900 Baccharis dracunculifolia: 10.1002/(SICI)1099-1026(199601)11:1<15::AID-FFJ541>3.0.CO;2-H
103349 Vitis rotundifolia: 10.1021/JF00112A014
33117 Mandragora officinarum:
389206 Mandragora autumnalis:
3656 Cucumis melo: 10.1111/J.1365-2621.1987.TB14284.X
99501 Echinophora tenuifolia: 10.1002/FFJ.2730040206
28974 Averrhoa carambola: 10.1080/10412905.2000.9699557
253082 Pelargonium quercifolium: 10.1080/10412905.1991.9697953
489417 Tordylium apulum: 10.1080/10412905.1993.9698167
360621 Heracleum persicum: 10.1055/S-2007-969621
380073 Heracleum dissectum: 10.1021/NP50041A034
360619 Heracleum antasiaticum: 10.1080/10412905.1993.9698208
188493 Etlingera elatior: 10.1080/10412905.1993.9698191
580473 Persicaria odorata: 10.1080/10412905.1995.9698534
79217 Citrus iyo: 10.1271/BBB1961.47.1841
260635 Condea emoryi: 10.1021/NP50034A039
37334 Citrus maxima: 10.1271/BBB1961.55.2571
360621 Heracleum persicum: 10.1055/S-2007-969621
145953 Ophrys sphegodes: 10.1016/S0031-9422(00)81276-5
49558 Osmorhiza aristata: 10.1248/YAKUSHI1947.99.11_1116
33117 Mandragora officinarum: 10.1080/10412905.1998.9700991
389206 Mandragora autumnalis: 10.1080/10412905.1998.9700991
173701 Boswellia sacra: 10.1055/S-2006-962745
2706 Citrus: 10.1080/10412905.1993.9698179
57577 Trifolium pratense: 10.1021/JF00122A019
169607 Tagetes minuta: 10.1007/BF02269705
48103 Bupleurum fruticosum: 10.1080/10412905.1992.9698110
3435 Persea americana: 10.1021/JF00019A020
85571 Citrus reticulata: 10.1002/HLCA.19630460506
558547 Citrus deliciosa: 10.1002/HLCA.19630460506

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

Keiichi Yoshikawa, Hiroaki Nakagawa, Naoki Mori, Hidenori Watanabe, Kazushige Touhara. An unsaturated aliphatic alcohol as a natural ligand for a mouse odorant receptor. Nature chemical biology. 2013 Mar; 9(3):160-2. doi: 10.1038/nchembio.1164. [PMID: 23314914]
Moises Alejandro Vazquez-Cruz, Sandra Neli Jimenez-Garcia, Irineo Torres-Pacheco, Salvador Horacio Guzman-Maldonado, Ramon Gerardo Guevara-Gonzalez, Rita Miranda-Lopez. Effect of maturity stage and storage on flavor compounds and sensory description of berrycactus (Myrtillocactus geometrizans). Journal of food science. 2012 Apr; 77(4):C366-73. doi: 10.1111/j.1750-3841.2012.02621.x. [PMID: 22429085]
Shouan Liu, Baoyu Han. Differential expression pattern of an acidic 9/13-lipoxygenase in flower opening and senescence and in leaf response to phloem feeders in the tea plant. BMC plant biology. 2010 Oct; 10(?):228. doi: 10.1186/1471-2229-10-228. [PMID: 20969806]
Catherine E Garner, Andrew K Ewer, Kalifa Elasouad, Francis Power, Rosemary Greenwood, Norman M Ratcliffe, Ben de Lacy Costello, Chris S Probert. Analysis of faecal volatile organic compounds in preterm infants who develop necrotising enterocolitis: a pilot study. Journal of pediatric gastroenterology and nutrition. 2009 Nov; 49(5):559-65. doi: 10.1097/mpg.0b013e3181a3bfbc. [PMID: 19668005]
Sumin Lee, Sangpill Hwang, Kangtaek Lee, Ik-Sung Ahn. Microscopic analysis of ester hydrolysis reaction catalyzed by Candida rugosa lipase. Colloids and surfaces. B, Biointerfaces. 2006 Jan; 47(1):78-84. doi: 10.1016/j.colsurfb.2005.11.018. [PMID: 16406517]
Gökalp Işcan, Fatih Demirci, Mine Kürkçüoğlu, Merih Kivanç, K Hüsnü Can Başer. The bioactive essential oil of Heracleum sphondylium L. subsp. ternatum (Velen.) Brummitt. Zeitschrift fur Naturforschung. C, Journal of biosciences. 2003 Mar; 58(3-4):195-200. doi: 10.1515/znc-2003-3-410. [PMID: 12710728]
Botros R Mikhaeil, Galal T Maatooq, Farid A Badria, Mohamed M A Amer. Chemistry and immunomodulatory activity of frankincense oil. Zeitschrift fur Naturforschung. C, Journal of biosciences. 2003 Mar; 58(3-4):230-8. doi: 10.1515/znc-2003-3-416. [PMID: 12710734]
Mark J Carroll, May R Berenbaum. Behavioral responses of the parsnip webworm to host plant volatiles. Journal of chemical ecology. 2002 Nov; 28(11):2191-201. doi: 10.1023/a:1021093114663. [PMID: 12523562]
J A Cianfrogna, A R Zangerl, M R Berenbaum. Effects of furanocoumarins on feeding behavior of parsnip webworms Depressaria pastinacella. Journal of chemical ecology. 2002 Jul; 28(7):1365-75. doi: 10.1023/a:1016244402019. [PMID: 12199501]
M De Wolf, H J Hilderson, A Lagrou, W Dierick. Lipolytic enzymes in bovine thyroid tissue. III. Lysophospholipase activity. Archives internationales de physiologie et de biochimie. 1979 Feb; 87(1):1-18. doi: 10.3109/13813457909070481. [PMID: 92222]
K M Lovette, H Y Chuang, A F Mohammad, R G Mason. The subcellular distribution and partial characterization of cholinesterase activities of canine platelets. Biochimica et biophysica acta. 1976 Apr; 428(2):355-68. doi: 10.1016/0304-4165(76)90043-x. [PMID: 6047]