1-Hexanol (BioDeep_00000019388)

human metabolite Endogenous Volatile Flavor Compounds

代谢物信息卡片

1-Hexanol, aluminum salt

化学式: C6H14O (102.10445940000001)
中文名称: 1-己醇, 正己醇
谱图信息: 最多检出来源 Homo sapiens(feces) 0.09%

分子结构信息

SMILES: CCCCCCO
InChI: InChI=1S/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3

描述信息

1-Hexanol is an organic alcohol with a six carbon chain and a condensed structural formula of CH3(CH2)5OH. This colorless liquid is slightly soluble in water, but miscible with ether and ethanol. Two additional straight chain isomers of 1-hexanol exist, 2-hexanol and 3-hexanol, both of which differ by the location of the hydroxyl group. Many isomeric alcohols have the formula C6H13OH. 1-hexanol is believed to be a component of the odour of freshly mowed grass. It is used in the perfume industry and as a flavouring agent. 1-Hexanol is found in many foods, some of which are lemon, tea, yellow bell pepper, and hyssop. 1-Hexanol is a common constituent of essential oils (e.g. orange peel oil).
1-Hexanol is an organic alcohol with a six carbon chain and a condensed structural formula of CH3(CH2)5OH. This colorless liquid is slightly soluble in water, but miscible with ether and ethanol. Two additional straight chain isomers of 1-hexanol exist, 2-hexanol and 3-hexanol, both of which differ by the location of the hydroxyl group. Many isomeric alcohols have the formula C6H13OH. 1-hexanol is believed to be a component of the odour of freshly mown grass. It is used in the perfume industry.
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists

同义名列表

32 个代谢物同义名

1-Hexanol, aluminum salt; Hexyl alcohol (natural); Hexyl alcohol, active; Fatty alcohol(C6); Caproic alcohol; 1-Hexyl alcohol; Cyclohexan-1-ol; N-Hexyl alcohol; Hexahydrophenol; 1-Hydroxyhexane; Caproyl alcohol; Pentylcarbinol; Hexyl alcohol; N-Hexan-1-ol; CYCLOHEXANOL; Amylcarbinol; Hexanol-CMPD; Alcohol(C6); Hexanol-(1); Alcohol C-6; Hexan-1-ol; C6 Alcohol; N-Hexanol; 1-Hexanol; N-Hexenol; Hexalin; Hexanol; Exxal 6; Epal 6; HEX; BHL; 1-Hexanol

数据库引用编号

16 个数据库交叉引用编号

ChEBI: CHEBI:87393
PubChem: 8103
HMDB: HMDB0012971
ChEMBL: CHEMBL14085
Wikipedia: 1-Hexanol
MetaCyc: HEXANOL-CMPD
KNApSAcK: C00000358
foodb: FDB008072
chemspider: 7812
CAS: 286013-16-9
CAS: 25917-35-5
CAS: 64118-18-9
CAS: 2159-18-4
CAS: 111-27-3
PMhub: MS000016039
RefMet: 1-Hexanol

分类词条

代谢反应

1 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(1)

pyruvate fermentation to hexanol (engineered): 1-hexanol + NAD⁺ ⟶ 1-hexanal + H⁺ + NADH

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

138 个相关的物种来源信息

45372 - Abies alba: 10.1080/10412905.1990.9697826
78264 - Abies sachalinensis: 10.1016/S0031-9422(00)94990-2
260130 - Acca sellowiana: 10.1016/S0031-9422(00)97781-1
3625 - Actinidia chinensis: 10.1021/JF00069A050
4681 - Allium ampeloprasum: 10.1080/10412905.1991.9697935
45385 - Aloe arborescens: 10.1021/JF990116I
124763 - Amaranthus retroflexus: 10.1021/JF00121A024
35608 - Artemisia annua: 10.1007/S11418-007-0175-2
259893 - Artemisia argyi: 10.1007/S11418-007-0175-2
265783 - Artemisia capillaris: 10.1007/S11418-007-0175-2
669134 - Artemisia montana: 10.1007/S11418-007-0175-2
223870 - Artemisia princeps: 10.1007/S11418-007-0175-2
155124 - Aspalathus linearis: 10.1021/JF00062A024
385370 - Aster scaber: 10.1021/JF00034A033
649199 - Astragalus membranaceus: 10.1080/00021369.1987.10868496
119829 - Astragalus mongholicus: 10.1080/00021369.1987.10868496
76974 - Atalantia buxifolia: 10.1080/10412905.1994.9698400
28974 - Averrhoa carambola: 10.1021/JF00062A009
3589 - Basella alba: 10.1016/0889-1575(91)90017-Z
41492 - Bellis perennis: 10.1016/0031-9422(95)00183-8
3504 - Betula: 10.1007/BF02236421
52824 - Brassica carinata: 10.1016/0031-9422(88)83085-1
3708 - Brassica napus: 10.1016/0031-9422(88)83085-1
3711 - Brassica rapa: 10.1016/0031-9422(88)83085-1
85954 - Callitropsis nootkatensis: 10.1080/10412905.1990.9697826
114816 - Castanopsis cuspidata: 10.1021/JF60224A025
260595 - Cedronella canariensis: 10.1016/0031-9422(95)00241-X
123597 - Cedrus atlantica: 10.1080/10412905.1990.9697826
3322 - Cedrus deodara: 10.1080/10412905.1990.9697826
347529 - Centaurea solstitialis: 10.1021/JF00071A004
58030 - Chamaecyparis lawsoniana:
114280 - Cichorium endivia: 10.1021/JF00068A014
128608 - Cinnamomum verum: 10.1021/JF60218A031
3654 - Citrullus lanatus: 10.1271/BBB1961.49.3145
170989 - Citrus hystrix: 10.1016/J.PHYTOCHEM.2009.07.031
79217 - Citrus iyo: 10.1271/BBB1961.47.1841
37334 - Citrus maxima: 10.1016/J.PHYTOCHEM.2009.07.031
3369 - Cryptomeria japonica: 10.1080/10412905.1990.9697826
3656 - Cucumis melo: 10.1016/0031-9422(73)80507-2
3661 - Cucurbita maxima: 10.1021/JF00073A014
4265 - Cynara cardunculus: 10.1016/S0031-9422(82)85033-4
329675 - Daphne odora: 10.1271/BBB1961.47.483
2715869 - Daphne papyracea: 10.1271/BBB1961.47.483
4039 - Daucus carota: 10.1002/CBDV.201300390
239547 - Dryopteris affinis: 10.1080/10412905.1990.9697863
3289 - Dryopteris filix-mas: 10.1080/10412905.1990.9697863
289672 - Erythroxylum coca: 10.1055/S-2006-962643
102770 - Eupatorium cannabinum: 10.1055/S-2007-969599
75806 - Eutrema japonicum: 10.1271/BBB.58.2131
439689 - Evolvulus alsinoides: 10.1002/CBDV.201300234
52153 - Festuca rubra: 10.1016/0031-9422(91)84185-U
58228 - Garcinia mangostana: 10.1016/0031-9422(82)80025-3
148894 - Geum heterocarpum: 10.1080/10412905.1994.9698398
49827 - Glycyrrhiza glabra:
3635 - Gossypium hirsutum: 10.1021/JF60200A011
4397 - Hamamelis virginiana: 10.1055/S-2006-957420
4233 - Helianthus tuberosus: 10.1016/S0031-9422(82)85033-4
261800 - Helichrysum pendulum: 10.1055/S-2006-957552
360621 - Heracleum persicum: 10.1055/S-2007-969621
9606 - Homo sapiens: -
9606 - Homo sapiens: 10.1007/S11306-015-0840-5
16719 - Juglans nigra: 10.1080/10412905.1992.9698128
224740 - Juniperus sabina: 10.1080/10412905.1990.9697826
441197 - Laggera alata: 10.1002/FFJ.2730050307
1231670 - Leiocarpa semicalva: 10.1055/S-2006-957552
151069 - Litchi chinensis: 10.1021/JF60230A021
4606 - Lolium arundinaceum: 10.1016/0031-9422(91)84185-U
3750 - Malus domestica:
283210 - Malus pumila:
29780 - Mangifera indica: 10.1016/0031-9422(88)80124-9
3879 - Medicago sativa: 10.1016/S0031-9422(97)00119-2
29686 - Melica uniflora: 10.1080/10412905.1990.9697863
460334 - Mutisia friesiana: 10.3390/50300568
119949 - Myrtus communis: 10.1016/S0021-9673(01)95036-8
4146 - Olea europaea: 10.1016/S0031-9422(97)00730-9
145953 - Ophrys sphegodes: 10.1016/S0031-9422(00)81276-5
371859 - Opuntia ficus-indica: 10.1021/JF60218A053
35924 - Paeonia lactiflora: 10.1016/S0031-9422(00)94541-2
35935 - Parthenium argentatum: 10.1021/JF00064A020
2364191 - Parthenium confertum: 10.1021/JF00064A020
183063 - Parthenium hysterophorus: 10.1021/JF00064A020
1680480 - Parthenium incanum: 10.1021/JF00064A020
73200 - Pelargonium graveolens: 10.1002/HLCA.19840670504
3885 - Phaseolus vulgaris: 10.1021/JF60199A053
3329 - Picea abies:
3336 - Picea omorika: 10.1080/10412905.1990.9697826
3331 - Picea pungens: 10.1080/10412905.1990.9697826
28528 - Pinus mugo: 10.1080/10412905.1990.9697826
3348 - Pinus strobus: 10.1080/10412905.1990.9697826
3349 - Pinus sylvestris: 10.1016/S0031-9422(00)80745-1
204156 - Platostoma africanum: 10.1055/S-2006-962093
62097 - Plumeria rubra: 10.1002/FFJ.2730070108
174549 - Polygala senega: 10.1002/FFJ.2730100408
36596 - Prunus armeniaca: 10.1021/JF00004A032
3758 - Prunus domestica: 10.1021/JF00004A032
3755 - Prunus dulcis: 10.1021/JF60228A025
3760 - Prunus persica: 10.1021/JF00004A032
2586704 - Pternistria bispina: 10.1071/CH9670395
97693 - Quercus agrifolia: 10.1016/S0031-9422(00)84047-9
203015 - Rhodiola rosea: 10.1016/S0031-9422(02)00004-3
74632 - Rosa gallica: 10.1111/J.1600-0536.1991.TB01726.X
77063 - Salix fragilis: 10.1080/10412905.1990.9697863
39367 - Salvia rosmarinus: 10.1111/J.1365-2621.1985.TB10476.X
38869 - Salvia sclarea: 10.1076/PHBI.35.3.218.13295
1685717 - Salvia syriaca: 10.1080/10412905.2000.9712167
1142017 - Santolina corsica: 10.1016/J.PHYTOCHEM.2007.04.027
375857 - Scolochloa festucacea: 10.1016/0031-9422(91)84185-U
27967 - Scytosiphon lomentaria: 10.1016/0031-9422(91)85017-T
155237 - Sideritis chamaedryfolia: 10.1016/S0031-9422(00)80325-8
155267 - Sideritis tragoriganum: 10.1016/S0031-9422(00)80325-8
4081 - Solanum lycopersicum: 10.1021/JF00014A016
265416 - Solanum stuckertii: 10.1080/10412905.1997.9700728
53737 - Sphagneticola trilobata: 10.1002/FFJ.3227
80338 - Spondias mombin:
547782 - Symphyotrichum undulatum: 10.1021/JF00034A033
25629 - Taxus baccata: 10.1080/10412905.1990.9697863
88032 - Taxus canadensis: 10.1080/10412905.1993.9698163
99806 - Taxus cuspidata: 10.1080/10412905.1990.9697863
3317 - Thuja occidentalis: 10.1080/10412905.1990.9697826
3316 - Thuja plicata: 10.1080/10412905.1990.9697826
1194133 - Thymus longicaulis: 10.1080/10412905.1994.9698359
40145 - Tricholoma matsutake:
57577 - Trifolium pratense: 10.1021/JF00122A019
78534 - Trigonella foenum-graecum:
4565 - Triticum aestivum: 10.1016/S0031-9422(00)82634-5
174970 - Uvaria chamae: 10.1055/S-2006-962016
945837 - Vaccinium ashei: 10.1111/J.1365-2621.1985.TB13419.X
69266 - Vaccinium corymbosum: 10.1111/J.1365-2621.1985.TB13419.X
13750 - Vaccinium macrocarpon: 10.3891/ACTA.CHEM.SCAND.21-2076
1493660 - Vaccinium virgatum: 10.1111/J.1365-2621.1985.TB13419.X
180772 - Vaccinium vitis-idaea: 10.3891/ACTA.CHEM.SCAND.21-0945
19953 - Valeriana officinalis: 10.1016/0031-9422(95)00492-P
103349 - Vitis rotundifolia: 10.1021/JF00112A014
29760 - Vitis vinifera:
354530 - Zanthoxylum schinifolium: 10.1021/JF0728101
4577 - Zea mays:
136225 - Zingiber mioga: 10.1271/BBB1961.55.1655
94328 - Zingiber officinale:

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

Er-Tao Li, Han-Jia Wu, Jian-Hui Qin, Jing Luo, Ke-Bin Li, Ya-Zhong Cao, Shuai Zhang, Yu Peng, Jiao Yin. Involvement of Holotrichia parallela odorant-binding protein 3 in the localization of oviposition sites. International journal of biological macromolecules. 2023 May; ?(?):124744. doi: 10.1016/j.ijbiomac.2023.124744. [PMID: 37148950]
Maciej Jakobina, Jacek Łyczko, Kinga Zydorowicz, Renata Galek, Antoni Szumny. The Potential Use of Plant Growth Regulators for Modification of the Industrially Valuable Volatile Compounds Synthesis in Hylocreus undatus Stems. Molecules (Basel, Switzerland). 2023 May; 28(9):. doi: 10.3390/molecules28093843. [PMID: 37175252]
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Encarnación Romera-García, Noelia Caballero-Casero, Soledad Rubio. Saliva-induced coacervation of inverted aggregates of hexanol for simplifying human biomonitoring: Application to the determination of free bisphenols. Talanta. 2019 Nov; 204(?):465-474. doi: 10.1016/j.talanta.2019.06.043. [PMID: 31357321]
Lisa Yen Wen Chua, Bee Lin Chua, Adam Figiel, Chien Hwa Chong, Aneta Wojdyło, Antoni Szumny, Krzysztof Lech. Characterisation of the Convective Hot-Air Drying and Vacuum Microwave Drying of Cassia alata: Antioxidant Activity, Essential Oil Volatile Composition and Quality Studies. Molecules (Basel, Switzerland). 2019 Apr; 24(8):. doi: 10.3390/molecules24081625. [PMID: 31022967]
Rui Xin, Xiaohong Liu, Chunyan Wei, Chong Yang, Hongru Liu, Xiangmei Cao, Di Wu, Bo Zhang, Kunsong Chen. E-Nose and GC-MS Reveal a Difference in the Volatile Profiles of White- and Red-Fleshed Peach Fruit. Sensors (Basel, Switzerland). 2018 Mar; 18(3):. doi: 10.3390/s18030765. [PMID: 29498705]
Virginia C Resconi, Mónica Bueno, Ana Escudero, Danielle Magalhaes, Vicente Ferreira, M Mar Campo. Ageing and retail display time in raw beef odour according to the degree of lipid oxidation. Food chemistry. 2018 Mar; 242(?):288-300. doi: 10.1016/j.foodchem.2017.09.036. [PMID: 29037691]
Eric J Miller, Suzanne G Mays, Mark T Baillie, Randy B Howard, Deborah G Culver, Manohar Saindane, Sarah T Pruett, Jason J Holt, David S Menaldino, Taylor J Evers, G Prabhakar Reddy, Richard F Arrendale, Michael G Natchus, John A Petros, Dennis C Liotta. Discovery of a Fluorinated Enigmol Analog with Enhanced in Vivo Pharmacokinetic and Anti-Tumor Properties. ACS medicinal chemistry letters. 2016 May; 7(5):537-42. doi: 10.1021/acsmedchemlett.6b00113. [PMID: 27190606]
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Valentina Gallo, Pasquale Stano, Pier Luigi Luisi. Protein Synthesis in Sub-Micrometer Water-in-Oil Droplets. Chembiochem : a European journal of chemical biology. 2015 Sep; 16(14):2073-9. doi: 10.1002/cbic.201500274. [PMID: 26376303]
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Hanane Moummou, Libert Brice Tonfack, Christian Chervin, Mohamed Benichou, Emmanuel Youmbi, Christian Ginies, Alain Latché, Jean-Claude Pech, Benoît van der Rest. Functional characterization of SlscADH1, a fruit-ripening-associated short-chain alcohol dehydrogenase of tomato. Journal of plant physiology. 2012 Oct; 169(15):1435-44. doi: 10.1016/j.jplph.2012.06.007. [PMID: 22818888]
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