SFE 10:0 (BioDeep_00000630625)

 

Secondary id: BioDeep_00000004285, BioDeep_00000026540, BioDeep_00000395811, BioDeep_00000859401

PANOMIX_OTCML-2023


代谢物信息卡片


n-Caproic acid n-butyl ester

化学式: C10H20O2 (172.1463)
中文名称: 辛酸乙酯, 2-乙基-己酸乙酯, 壬酸甲酯, 己酸丁酯, 丁酸己酯, 庚酸丙酯, 乙酸辛酯, 丁酸环己酯, 2-乙基己酸乙酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 33.1%

分子结构信息

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

描述信息

A fatty acid ethyl ester resulting from the formal condensation of octanoic acid with ethanol.
Octyl acetate is one of major components of essential oils in the vittae, or oil tubes, of the wild parsnip (Pastinaca sativa). Octyl acetate has antioxidant activity[1].
Octyl acetate is one of major components of essential oils in the vittae, or oil tubes, of the wild parsnip (Pastinaca sativa). Octyl acetate has antioxidant activity[1].

同义名列表

26 个代谢物同义名

Ethyl caprylate; ETHYL OCTANOATE; WE(2:0/8:0); SFE 10:0; Propyl heptanoate; METHYL NONANOATE; Ethyl 2-ethylhexanoate; orris capronate; Methyl 4-methyl-octanoate; WE(1:0/8:0(4Me)); ethyl 4-methyl-heptanoate; WE(2:0/7:0(4Me)); n-Caproic acid n-butyl ester; Butyl hexanoate; WE(4:0/6:0); HEXYL BUTYRATE; WE(6:0/4:0); Octyl acetate; Ethyl 2-ethylhexanoate; 2a,7,10,12a,13,15a,16,18a,21a,23,26,28a,29,31a,32,34a,37a,42,45,48,51,58,61,64,67,77,80,83,86,93,96,99-Dotriacontaoxa-2,7a,37,41a,42a,43a,44a,72-octazaheptadecacyclo[106.32.1.13,36.138,71.173,106.04,35.06,33.017,22.039,70.041,68.052,57.074,105.076,103.087,92.0109,140.0111,138.0122,127]tetratetracontahecta-1,3,3a(76),4a(5a),5,6a(7a),8a(41a),9a(10a),11a(38a),17,19,21,22a(23a),24a(25a),26a(27a),33,35,37,39,39a(40a),41(68),42a(73),43a(71),52,54,56,69,74,87,89,91-hentriacontaene; Ethyl octanoate; Octyl acetate; Methyl nonanoate; Butyl hexanoate; Propyl heptanoate; Hexyl butyrate



数据库引用编号

43 个数据库交叉引用编号

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)

63 个相关的物种来源信息

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
Cytoplasm 8 CES1, FASN, GGPS1, GRP, HPGDS, NOTCH2, PSMB5, RGS2
Endoplasmic reticulum membrane 1 NOTCH2
Nucleus 8 ATF1, CBX4, CES1, EMX2, MYB, NOTCH2, PSMB5, RGS2
cytosol 10 CES1, FASN, GGPS1, HPGDS, LIPE, MYB, PGK1, PSMB5, RGS2, TRDN
nuclear body 1 CBX4
centrosome 1 PSMB5
nucleoplasm 9 ATF1, CBX4, GGPS1, HPGDS, MYB, NOTCH2, NRG1, PSMB5, TRDN
RNA polymerase II transcription regulator complex 2 ATF1, MYB
Cell membrane 4 ACKR4, LIPE, NRG1, TRDN
Cell projection, axon 1 EMX2
Multi-pass membrane protein 1 ACKR4
cell surface 1 NOTCH2
glutamatergic synapse 1 NRG1
Golgi apparatus 2 ATRN, FASN
Golgi membrane 1 NOTCH2
lysosomal membrane 1 GAA
Cytoplasm, cytosol 1 LIPE
Lysosome 1 GAA
plasma membrane 8 ACKR4, ATRN, FASN, GAA, NOTCH2, NRG1, RGS2, TRDN
Membrane 8 FASN, GAA, LIPE, MYB, NOTCH2, NRG1, PGK1, TRDN
apical plasma membrane 1 NRG1
axon 1 EMX2
caveola 1 LIPE
extracellular exosome 5 ATRN, FASN, GAA, PGK1, PSMB5
Lysosome membrane 1 GAA
endoplasmic reticulum 2 CES1, TRDN
extracellular space 4 ATRN, GRP, NRG1, PGK1
lysosomal lumen 1 GAA
perinuclear region of cytoplasm 1 GGPS1
mitochondrion 1 RGS2
intracellular membrane-bounded organelle 2 GAA, HPGDS
Single-pass type I membrane protein 3 ATRN, NOTCH2, NRG1
Secreted 3 GAA, GRP, NRG1
extracellular region 4 GAA, GRP, NOTCH2, NRG1
cytoplasmic side of plasma membrane 1 RGS2
[Isoform 2]: Secreted 1 ATRN
external side of plasma membrane 1 ACKR4
Secreted, extracellular space, extracellular matrix 1 GRP
Z disc 1 GGPS1
nucleolus 1 RGS2
Early endosome 1 ACKR4
recycling endosome 1 ACKR4
Single-pass type II membrane protein 1 TRDN
Cytoplasm, perinuclear region 1 GGPS1
Membrane raft 1 PGK1
extracellular matrix 1 GRP
sarcoplasmic reticulum 1 TRDN
nuclear speck 1 CBX4
receptor complex 1 NOTCH2
Cell projection, neuron projection 1 GRP
neuron projection 1 GRP
cilium 1 NOTCH2
chromatin 2 ATF1, EMX2
Nucleus, nucleolus 1 RGS2
proteasome core complex, beta-subunit complex 1 PSMB5
[Isoform 2]: Cell membrane 1 RGS2
[Isoform 3]: Secreted 1 ATRN
Lipid droplet 2 CES1, LIPE
Membrane, caveola 1 LIPE
tertiary granule membrane 1 GAA
Melanosome 1 FASN
Nucleus speckle 1 CBX4
Cytoplasm, myofibril, sarcomere, Z line 1 GGPS1
proteasome complex 1 PSMB5
secretory granule lumen 1 GRP
endoplasmic reticulum lumen 1 CES1
nuclear matrix 1 MYB
PcG protein complex 1 CBX4
PRC1 complex 1 CBX4
azurophil granule membrane 1 GAA
Sarcoplasmic reticulum membrane 1 TRDN
neuronal dense core vesicle 1 GRP
proteasome core complex 1 PSMB5
Sarcoplasmic reticulum lumen 1 TRDN
junctional sarcoplasmic reticulum membrane 1 TRDN
ficolin-1-rich granule membrane 1 GAA
[Isoform 1]: Cell membrane 2 ATRN, RGS2
[Isoform 3]: Cell membrane 1 RGS2
Cytoplasmic vesicle, secretory vesicle lumen 1 GRP
autolysosome lumen 1 GAA
[Isoform 4]: Cell membrane 1 RGS2
ATF4-CREB1 transcription factor complex 1 ATF1
ATF1-ATF4 transcription factor complex 1 ATF1
glycogen granule 1 FASN
[Notch 2 extracellular truncation]: Cell membrane 1 NOTCH2
[Notch 2 intracellular domain]: Nucleus 1 NOTCH2
junctional membrane complex 1 TRDN


文献列表

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