Isopropyl alcohol (BioDeep_00000004331)

Secondary id: BioDeep_00000405386, BioDeep_00000866925

human metabolite PANOMIX_OTCML-2023 Endogenous blood metabolite Volatile Flavor Compounds

代谢物信息卡片

1-Methylethyl alcohol

化学式: C3H8O (60.0575118)
中文名称: 异丙醇, 2-丙醇-2-13C
谱图信息: 最多检出来源 Homo sapiens(blood) 2.56%

分子结构信息

SMILES: CC(C)O
InChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3

描述信息

Isopropyl alcohol, also known as isopropanol or 1-methylethanol, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). It is used in the manufacture of acetone and its derivatives and as a solvent. Isopropyl alcohol exists in all living species, ranging from bacteria to humans. Isopropyl alcohol is an alcohol, bitter, and musty tasting compound. Isopropyl alcohol has also been detected, but not quantified in several different foods, such as papaya, roselles, apples, sweet cherries, and allium (onion). Isopropyl alcohol is an isomer of 1-propanol and is considered as a potentially toxic compound. Topically, it is used as an antiseptic. It is a colorless liquid having disinfectant properties.
Present in fruit aromas, e.g. papaya (Carica papaya). It is used as an extraction solvent in food preparation
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants
D012997 - Solvents

同义名列表

29 个代谢物同义名

1-Methylethyl alcohol; Alcohol, isopropyl; Isopropyl alcohol; 2-propanol-2-13c; Isopropylalkohol; Alcohol, rubbing; 2-Propyl alcohol; 2-Hydroxypropane; I-propylalkohol; Rubbing alcohol; 1-Methylethanol; Sec-propanol; propan-2-ol; isopropanol; I-propanol; 2-Propanol; 2 Propanol; Takineocol; Avantine; Hartosol; Petrohol; Alkolave; Alcojel; Avantin; Isopro; Lavaco; IPA; Propan-2-ol; Isopropyl alcohol

数据库引用编号

24 个数据库交叉引用编号

ChEBI: CHEBI:17824
KEGG: C01845
KEGGdrug: D00137
PubChem: 3776
HMDB: HMDB0000863
DrugBank: DB02325
ChEMBL: CHEMBL582
Wikipedia: Isopropyl_Alcohol
MeSH: 2-Propanol
MetaCyc: ISO-PROPANOL
KNApSAcK: C00048438
foodb: FDB008282
chemspider: 3644
CAS: 84809-71-2
CAS: 21388-65-8
CAS: 8003-15-4
CAS: 555-31-7
CAS: 67-63-0
PMhub: MS000016584
PubChem: 4963
PDB-CCD: IPA
3DMET: B00359
NIKKAJI: J1.411G
KNApSAcK: 17824

分类词条

代谢反应

7 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(7)

acetone degradation I (to methylglyoxal): H⁺ + acetoacetate ⟶ CO₂ + acetone
isopropanol biosynthesis (engineered): NADP⁺ + propan-2-ol ⟶ H⁺ + NADPH + acetone
acetone degradation III (to propane-1,2-diol): NADP⁺ + propan-2-ol ⟶ H⁺ + NADPH + acetone
acetone degradation I (to methylglyoxal): NADP⁺ + propan-2-ol ⟶ H⁺ + NADPH + acetone
acetone degradation II (to acetoacetate): NADP⁺ + propan-2-ol ⟶ H⁺ + NADPH + acetone
propane degradation I: NAD⁺ + propan-2-ol ⟶ H⁺ + NADH + acetone
propane degradation II: NAD⁺ + propan-2-ol ⟶ H⁺ + NADH + acetone

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

7 个相关的物种来源信息

170989 - Citrus hystrix: 10.1016/J.PHYTOCHEM.2009.07.031
37334 - Citrus maxima: 10.1016/J.PHYTOCHEM.2009.07.031
9606 - Homo sapiens: -
3750 - Malus domestica: 10.1002/FOOD.19810250610
283210 - Malus pumila: 10.1002/FOOD.19810250610
371859 - Opuntia ficus-indica: 10.1021/JF60218A053
40145 - Tricholoma matsutake:

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

Junbao Du, Li Zhao, Quan Kang, Yun He, Yang Bi. An optimized method for Oil Red O staining with the salicylic acid ethanol solution. Adipocyte. 2023 12; 12(1):2179334. doi: 10.1080/21623945.2023.2179334. [PMID: 36779587]
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Hayfaa A Alshamar, Richard W Dapson. Using extract from alkanet (Alkanna tinctoria) as a source of both a red lipid stain and a blue counterstain for histology. Biotechnic & histochemistry : official publication of the Biological Stain Commission. 2023 Nov; 98(8):554-560. doi: 10.1080/10520295.2023.2271397. [PMID: 37905985]
Jacob Lessard-Lord, Charlène Roussel, Valérie Guay, Yves Desjardins. Characterization of the Interindividual Variability Associated with the Microbial Metabolism of (-)-Epicatechin. Journal of agricultural and food chemistry. 2023 Sep; ?(?):. doi: 10.1021/acs.jafc.3c05491. [PMID: 37683128]
Ming Fang, Wenxin Long, Jie Sun, Ailing Wang, Lei Chen, Yonghe Cui, Zhihua Huang, Jiangzhou Li, Weibin Ruan, Sergio Rasmann, Xianqin Wei. Toxicity of fungal-derived volatile organic compounds against root-knot nematodes. Pest management science. 2023 Aug; ?(?):. doi: 10.1002/ps.7719. [PMID: 37574969]
Yuanchao Lu, Rongrong Hou, Shengxin Shao, Jialing Li, Ningxiang Yu, Xiaohua Nie, Xianghe Meng. In-depth potential mechanism of combined demulsification pretreatments (isopropanol ultrasonic pretreatments and Ca2+ flow additions) during aqueous enzymatic extractions of Camellia oils. Food chemistry. 2023 Jul; 414(?):135681. doi: 10.1016/j.foodchem.2023.135681. [PMID: 36827778]
Sung-Tong Chin, Gerhard Hoerlendsberger, Kok Wai Wong, Sirui Li, Sze How Bong, Luke Whiley, Julien Wist, Reika Masuda, Johan Greeff, Elaine Holmes, Jeremy K Nicholson, Ruey Leng Loo. Targeted lipidomics coupled with machine learning for authenticating the provenance of chicken eggs. Food chemistry. 2023 Jun; 410(?):135366. doi: 10.1016/j.foodchem.2022.135366. [PMID: 36641906]
Haoxiang Zhu, Kunrong Qin, Ping Zhang, Haiyang Wang. Enantiomeric Separation and Degradation of Benoxacor Enantiomers in Horticultural Soil by Normal-Phase and Reversed-Phase High Performance Liquid Chromatography. International journal of molecular sciences. 2023 May; 24(10):. doi: 10.3390/ijms24108887. [PMID: 37240233]
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Ayesha Sani, Ali Murad, Dilawar Hassan, Ghulam Mustafa Channa, Ahmed El-Mallul, Dora Iliana Medina. Photo-catalytic and biomedical applications of one-step, plant extract-mediated green-synthesized cobalt oxide nanoparticles. Environmental science and pollution research international. 2023 Feb; 30(8):20736-20745. doi: 10.1007/s11356-022-23645-x. [PMID: 36255577]
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Xiaoyu Shi, Hyeon Min Park, Minhye Kim, Myeong-Eun Lee, Wu-Young Jeong, Joonhee Chang, Byeong-Hyeon Cho, Sung Ok Han. Isopropanol biosynthesis from crude glycerol using fatty acid precursors via engineered oleaginous yeast Yarrowia lipolytica. Microbial cell factories. 2022 Aug; 21(1):168. doi: 10.1186/s12934-022-01890-6. [PMID: 35986289]
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Zachary Provost, Ella Olivia Hansen, Morgan Viola Lynds, Barry S Flinn, Zoran Minic, Maxim V Berezovski, Illimar Altosaar. Three Diverse Granule Preparation Methods for Proteomic Analysis of Mature Rice (Oryza sativa L.) Starch Grain. Molecules (Basel, Switzerland). 2022 May; 27(10):. doi: 10.3390/molecules27103307. [PMID: 35630784]
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Shoko Kure, Sera Satoi, Toshihiko Kitayama, Yuta Nagase, Nobuo Nakano, Marina Yamada, Noboru Uchiyama, Satoshi Miyashita, Shinya Iida, Hiroyuki Takei, Masao Miyashita. A prediction model using 2-propanol and 2-butanone in urine distinguishes breast cancer. Scientific reports. 2021 10; 11(1):19801. doi: 10.1038/s41598-021-99396-5. [PMID: 34611278]
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Carine Dumollard, Jean-François Wiart, Florian Hakim, Christophe Demarly, Philippe Morbidelli, Delphine Allorge, Jean-Michel Gaulier. Putatively lethal ingestion of isopropyl alcohol-related case: interpretation of post mortem isopropyl alcohol and acetone concentrations remains challenging. International journal of legal medicine. 2021 Jan; 135(1):175-182. doi: 10.1007/s00414-020-02444-4. [PMID: 33090260]
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