| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:33:59 UTC |
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| Update Date | 2020-04-22 15:48:59 UTC |
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| BMDB ID | BMDB0012197 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Canavaninosuccinate |
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| Description | Canavaninosuccinate belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review a significant number of articles have been published on Canavaninosuccinate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Canavaninosuccinic acid | Generator | | 2-[N'-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioate | Generator, HMDB |
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| Chemical Formula | C9H16N4O7 |
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| Average Molecular Weight | 292.2459 |
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| Monoisotopic Molecular Weight | 292.101898886 |
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| IUPAC Name | 2-[3-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioic acid |
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| Traditional Name | 2-[3-(3-amino-3-carboxypropoxy)carbamimidamido]butanedioic acid |
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| CAS Registry Number | 56073-32-6 |
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| SMILES | NC(CCONC(=N)NC(CC(O)=O)C(O)=O)C(O)=O |
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| InChI Identifier | InChI=1S/C9H16N4O7/c10-4(7(16)17)1-2-20-13-9(11)12-5(8(18)19)3-6(14)15/h4-5H,1-3,10H2,(H,14,15)(H,16,17)(H,18,19)(H3,11,12,13) |
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| InChI Key | SGYMGUGIGTWWLU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic 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 | Aspartic acid and derivatives |
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| Alternative Parents | |
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| Substituents | - Aspartic acid or derivatives
- Alpha-amino acid
- Tricarboxylic acid or derivatives
- Guanidine
- Amino acid
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidamide
- Carboxylic acid
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxygen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Carbonyl group
- Amine
- Organopnictogen compound
- Organic oxide
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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