| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:28:55 UTC |
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| Update date | 2017-01-19 02:36:15 UTC |
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| FoodComEx ID | PC000159 |
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| FoodDB Record | FDB022284 |
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| Chemical Information |
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| Name | Monomethyl glutaric acid |
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| Description | Metabolism of dibasic esters(DBEs) by nasal respiratory and olfactory mucosae in vitro demonstrated that hydrolysis of DBEs yields mainly the monomethyl esters (monomethyl adipate, monomethyl
glutarate, and monomethyl succinate).
PMCID: 1568341 [HMDB] |
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| CAS Number | 1501-27-5 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 2-Methyleneglutarate | hmdb | | 4-(Methoxycarbonyl)butyrate | hmdb | | 4-(Methoxycarbonyl)butyric acid | hmdb | | 4-Carboxybutanoate | hmdb | | 4-Carboxybutanoic acid | hmdb | | 4-Carboxybutanoic acid methyl ester | hmdb | | 4-Methoxycarbonylbutanoate | hmdb | | 4-Methoxycarbonylbutanoic acid | hmdb | | 5-Methoxy-5-oxopentanoate | hmdb | | 5-Methoxy-5-oxopentanoic acid | hmdb | | Glutaric acid methyl ester | hmdb | | Glutaric acid methyl half ester | hmdb | | Glutaric acid monomethyl ester | hmdb | | Glutaric acid monomethylester | hmdb | | Methyl glutarate | hmdb | | Methyl glutarate,mono | hmdb | | Methyl hydrogen glutarate | hmdb | | mono-methyl glutarate | hmdb | | Monomethyl ester of glutarate | hmdb | | Monomethyl ester of glutaric acid | hmdb | | Monomethyl glutarate | hmdb | | Pentanedioic acid monomethyl ester | hmdb |
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| Chemical Formula | C6H10O4 |
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| IUPAC name | 5-methoxy-5-oxopentanoic acid |
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| InChI Identifier | InChI=1S/C6H10O4/c1-10-6(9)4-2-3-5(7)8/h2-4H2,1H3,(H,7,8) |
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| InChI Key | IBMRTYCHDPMBFN-UHFFFAOYSA-N |
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| Isomeric SMILES | COC(=O)CCCC(O)=O |
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| Average Molecular Weight | 146.1412 |
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| Monoisotopic Molecular Weight | 146.057908808 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. |
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| Kingdom | Organic compounds |
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| Super Class | Lipids and lipid-like molecules |
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| Class | Fatty Acyls |
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| Sub Class | Fatty acid esters |
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| Direct Parent | Fatty acid methyl esters |
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| Alternative Parents | |
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| Substituents | - Fatty acid methyl ester
- Dicarboxylic acid or derivatives
- Methyl ester
- Carboxylic acid ester
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 1 g |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| AKSci | 7511AA |
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| MetaSci | HMDB0000858 |
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| Sigma-Aldrich | HMDB0000858 |
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