| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:29:21 UTC |
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| Update date | 2017-01-19 02:36:17 UTC |
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| FoodComEx ID | PC000230 |
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| FoodDB Record | FDB022178 |
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| Chemical Information |
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| Name | Homocitrulline |
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| Description | Homocitrulline is a metabolite that can be detected in larger amounts in the urine of individuals with urea cycle disorders (OMIM 238970). The accumulation of carbamylphosphate due to depleted supply of ornithine for the urea cycle may be responsible for the enhanced synthesis of homocitrulline and homoarginine in some cases (PMID 2474087). [HMDB] |
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| CAS Number | 1190-49-4 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Homo-L-citrulline | hmdb | | Homocitrulline | hmdb | | L-Homocitrulline | hmdb | | N-e-Carbamyl-L-lysine | hmdb | | N-epsilon-Carbamyl-L-lysine | hmdb | | N(6)-(Aminocarbonyl)-L-lysine | ChEBI | | N6-carbamoyl-L-Lysine | hmdb | | N6-carbamoyl-Lysine | hmdb |
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| Chemical Formula | C7H15N3O3 |
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| IUPAC name | (2S)-2-amino-6-(carbamoylamino)hexanoic acid |
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| InChI Identifier | InChI=1S/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)/t5-/m0/s1 |
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| InChI Key | XIGSAGMEBXLVJJ-YFKPBYRVSA-N |
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| Isomeric SMILES | N[C@@H](CCCCNC(N)=O)C(O)=O |
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| Average Molecular Weight | 189.2123 |
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| Monoisotopic Molecular Weight | 189.111341361 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
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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 | L-alpha-amino acids |
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| Alternative Parents | |
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| Substituents | - L-alpha-amino acid
- Medium-chain fatty acid
- Amino fatty acid
- Fatty acyl
- Fatty acid
- Carbonic acid derivative
- Amino acid
- Urea
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Amine
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Primary aliphatic amine
- Organic oxygen compound
- Carbonyl group
- Organic nitrogen compound
- 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 2 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 | J93208 |
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| AKSci | N793 |
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| AKSci | HMDB0000679 |
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| MetaSci | HMDB0000679 |
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| Toronto Research Chemicals | H590900 |
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