| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:33:41 UTC |
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| Update date | 2017-01-19 02:36:43 UTC |
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| FoodComEx ID | PC000993 |
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| FoodDB Record | FDB022204 |
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| Chemical Information |
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| Name | Isovalerylglutamic acid |
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| Description | Isovalerylglutamic acid is an unusual mtabolite that has been found in the urine of patients with Isovaleric Acidemia due to Isovaleryl-CoA Dehydrogenase Deficiency (OMMBID: The Metabolic and Molecular Bases of Inherited Disease, Ch.93: Branched Chain Organic Acidurias)
and in Multiple acyl-Co A dehydrogenation deficiency (MADD) (PMID 6862997) [HMDB]. Isovalerylglutamate is a biomarker for the consumption of cheese. |
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| CAS Number | 80154-63-8 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Isovalerylglutamate | hmdb | | Isovalerylglutamic acid | hmdb | | N-isovaleryl-DL-glutamate | hmdb | | N-isovaleryl-DL-glutamic acid | hmdb |
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| Chemical Formula | C10H17NO5 |
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| IUPAC name | (2S)-2-(3-methylbutanamido)pentanedioic acid |
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| InChI Identifier | InChI=1S/C10H17NO5/c1-6(2)5-8(12)11-7(10(15)16)3-4-9(13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1 |
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| InChI Key | HCVIJONZMYVLAW-ZETCQYMHSA-N |
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| Isomeric SMILES | CC(C)CC(=O)N[C@@H](CCC(O)=O)C(O)=O |
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| Average Molecular Weight | 231.2457 |
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| Monoisotopic Molecular Weight | 231.110672659 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | Glutamic acid and derivatives |
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| Alternative Parents | |
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| Substituents | - Glutamic acid or derivatives
- N-acyl-l-alpha-amino acid
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Branched fatty acid
- Dicarboxylic acid or derivatives
- Fatty amide
- Fatty acyl
- Fatty acid
- N-acyl-amine
- Carboxamide group
- Secondary carboxylic acid amide
- Carboxylic acid
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Carbonyl group
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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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 20 mg |
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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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| Not Available |
