Methyl caprylate (BioDeep_00000017733)

human metabolite PANOMIX_OTCML-2023 Endogenous

代谢物信息卡片

Methyl caprylate, United States Pharmacopeia (USP) Reference Standard

化学式: C9H18O2 (158.1306728)
中文名称: 正辛酸甲酯[标准物质], 辛酸甲酯
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 3.76%

分子结构信息

SMILES: CCCCCCCC(=O)OC
InChI: InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3

描述信息

Methyl octanoate appears as a colorless liquid. Insoluble in water and about the same density as water. Used to make other chemicals.
Methyl octanoate is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol. It has a role as a metabolite. It is a fatty acid methyl ester and an octanoate ester.
Methyl octanoate is a natural product found in Astragalus mongholicus, Achillea millefolium, and other organisms with data available.
Methyl octanoate is a metabolite found in or produced by Saccharomyces cerevisiae.
Methyl caprylate is found in chinese cinnamon. Methyl caprylate is a flavouring agent. Methyl caprylate is present in many fruits, e.g. apple, apricot, grape, blackberry, cherimoya etc
Methyl caprylate is a flavouring agent. Present in many fruits, e.g. apple, apricot, grape, blackberry, cherimoya etc. It is also found in tea, chinese cinnamon and pepper (spice).
A fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol.
Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1].
Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1].

同义名列表

43 个代谢物同义名

Methyl caprylate, United States Pharmacopeia (USP) Reference Standard; Methyl Caprylate; Octanoic acid methyl ester; Methyl octanoate; Methyl octanoate, certified reference material, TraceCERT(R); 4-02-00-00986 (Beilstein Handbook Reference); Octanoic acid methyl ester (FAME MIX); Methyl octanoate, analytical standard; 1A56EE3E-501F-4327-A796-0B21C0CBD8BF; 2-BENZOFURANCARBOXYLICACID,6-NITRO-; OCTANOIC ACID, METHYL ESTER [HSDB]; 2-Bromo-2-ethylbutanoyl chloride; Methyl ester of octanoic acid; n-Octanoic Acid Methyl Ester; n-Caprylic acid methyl ester; OCTANOIC ACID, METHYL ESTER; Caprylic acid, methyl ester; octanoic acid-methyl ester; Methyl ester octanoic acid; Octanoic acid methyl ester; Methyl octanoate, 99\\%, FG; Methyl caprylate (natural); Caprylic acid methyl ester; METHYL CAPRYLATE [USP-RS]; METHYL CAPRYLATE [INCI]; METHYL OCTANOATE [FHFI]; Octanoate methyl ester; Methyl octanoate, 99\\%; Caprylate methyl ester; Methyl caprylic acid; Methyl octanoic acid; Methyl n-octanoate; Methyl caprylate; Methyl octanoate; Methyl octylate; methyloctanoate; UNII-7MO740X6QL; Tox21_201470; Tox21_300557; WE(1:0/8:0); Uniphat A20; 7MO740X6QL; AI3-01979; C08 FAME; SFE 9:0

数据库引用编号

14 个数据库交叉引用编号

ChEBI: CHEBI:87432
PubChem: 8091
HMDB: HMDB0031291
ChEMBL: CHEMBL3183908
LipidMAPS: LMFA07010446
MeSH: methyl octanoate
ChemIDplus: 0000111115
KNApSAcK: C00051552
foodb: FDB003337
chemspider: 7800
CAS: 111-11-5
medchemexpress: HY-W087943
PMhub: MS000100032
MetaboLights: MTBLC87432

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)

46 个相关的物种来源信息

329675 Daphne odora: 10.1271/BBB1961.47.483
2715869 Daphne papyracea: 10.1271/BBB1961.47.483
4458 Arum maculatum: 10.1016/0305-1978(95)00026-Q
371859 Opuntia ficus-indica: 10.1021/JF60218A053
155124 Aspalathus linearis: 10.1021/JF00062A024
4615 Ananas comosus: 10.1021/JF60168A018
301862 Annona reticulata: 10.1007/BF02312888
13329 Achillea millefolium: 10.1007/BF02908196
282770 Achillea virescens: 10.1007/BF02908196
282720 Achillea aspleniifolia: 10.1007/BF02908196
698833 Elsholtzia fruticosa: 10.1055/S-2006-961490
79217 Citrus iyo: 10.1271/BBB1961.47.1841
3486 Humulus lupulus: 10.1021/JF9911850
3649 Carica papaya: 10.1021/JF00119A021
119829 Astragalus mongholicus: 10.1080/00021369.1987.10868496
649199 Astragalus membranaceus: 10.1080/00021369.1987.10868496
289720 Lithraea molleoides: 10.1021/JF00116A075
43851 Schinus molle: 10.1021/JF00116A075
294739 Mentha pulegium: 10.1016/J.PHYTOL.2014.03.007
79827 Bothriochloa bladhii: 10.1080/10412905.1993.9698231
49857 Annona montana: 10.1080/10412905.2002.9699846
329675 Daphne odora: 10.1271/BBB1961.47.483
2715869 Daphne papyracea: 10.1271/BBB1961.47.483
4458 Arum maculatum: 10.1016/0305-1978(95)00026-Q
371859 Opuntia ficus-indica: 10.1021/JF60218A053
155124 Aspalathus linearis: 10.1021/JF00062A024
4615 Ananas comosus: 10.1021/JF60168A018
301862 Annona reticulata: 10.1007/BF02312888
13329 Achillea millefolium: 10.1007/BF02908196
282770 Achillea virescens: 10.1007/BF02908196
282720 Achillea aspleniifolia: 10.1007/BF02908196
698833 Elsholtzia fruticosa: 10.1055/S-2006-961490
79217 Citrus iyo: 10.1271/BBB1961.47.1841
3486 Humulus lupulus: 10.1021/JF9911850
3649 Carica papaya: 10.1021/JF00119A021
119829 Astragalus mongholicus: 10.1080/00021369.1987.10868496
649199 Astragalus membranaceus: 10.1080/00021369.1987.10868496
289720 Lithraea molleoides: 10.1021/JF00116A075
43851 Schinus molle: 10.1021/JF00116A075
294739 Mentha pulegium: 10.1016/J.PHYTOL.2014.03.007
79827 Bothriochloa bladhii: 10.1080/10412905.1993.9698231
49857 Annona montana: 10.1080/10412905.2002.9699846
9606 Homo sapiens: -
78479 Trollius Chinensis: -
86864 Codonopsis pilosula Nannf.var.modesta(Nannf).L.Shen: -
33090 Plants: -

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

Jonas M Bengtsson, Yitbarek Wolde-Hawariat, Hamida Khbaish, Merid Negash, Bekele Jembere, Emiru Seyoum, Bill S Hansson, Mattias C Larsson, Ylva Hillbur. Field attractants for Pachnoda interrupta selected by means of GC-EAD and single sensillum screening. Journal of chemical ecology. 2009 Sep; 35(9):1063-76. doi: 10.1007/s10886-009-9684-7. [PMID: 19768509]
Dapeng Li, Jin Shen, Tao Wu, Yunfeng Xu, Xiaojuan Zong, Dequan Li, Huairui Shu. Overexpression of the apple alcohol acyltransferase gene alters the profile of volatile blends in transgenic tobacco leaves. Physiologia plantarum. 2008 Nov; 134(3):394-402. doi: 10.1111/j.1399-3054.2008.01152.x. [PMID: 18636987]
Joaquín Velasco, Susana Marmesat, Olivier Berdeaux, Gloria Márquez-Ruiz, Carmen Dobarganes. Quantitation of short-chain glycerol-bound compounds in thermoxidized and used frying oils. A monitoring study during thermoxidation of olive and sunflower oils. Journal of agricultural and food chemistry. 2005 May; 53(10):4006-11. doi: 10.1021/jf050050t. [PMID: 15884831]
T J Gianfagna, L Logendra, E F Durner, H W Janes. Improving tomato harvest index by controlling crop height and side shoot production. Life support & biosphere science : international journal of earth space. 1998; 5(2):255-61. doi: ". [PMID: 11541684]
B O Eggum, M Fekadu, J Wolstrup, W C Sauer, A Just. The effect of dietary antibiotics on protein and energy metabolism in rats: possible significance of the gut microflora. Journal of the science of food and agriculture. 1979 Feb; 30(2):177-84. doi: 10.1002/jsfa.2740300213. [PMID: 439869]
L H Laasberg, J Hedley-Whyte, M B Laver. Effect of sodium para-aminosalicylate on oxygen affinity in normal, sickle and fetal human blood. The Journal of pharmacology and experimental therapeutics. 1976 Nov; 199(2):441-53. doi: NULL. [PMID: 10430]
N Vogt, A Englhardt. [Different forms of hyperlipoproteinemia in diabetics (author's transl)]. Medizinische Klinik. 1975 Nov; 70(46):1871-7. doi: NULL. [PMID: 171548]