Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110003 |
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Identification |
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Name: |
5-guanidino-2-oxo-pentanoate |
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Description: | Zwitterionic form of 5-guanidino-2-oxopentanoic acid. |
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Structure |
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Synonyms: | -
2-oxo-5-guanidinopentanoate
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2-oxo-5-guanidino-pentanoate
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5-carbamimidamido-2-oxopentanoate
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α-ketoarginine
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2-oxoarginine
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5-guanidino-2-oxopentanoate
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2-keto-5-guanidinovalerate
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2-ketoarginine
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Chemical Formula: |
C6H11N3O3
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Average Molecular Weight: |
173.17 |
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Monoisotopic Molecular
Weight: |
174.0878662671 |
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InChI Key: |
ARBHXJXXVVHMET-UHFFFAOYSA-N |
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InChI: |
InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9) |
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CAS
number: |
3715-10-4 |
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IUPAC Name: | 5-{[amino(iminio)methyl]amino}-2-oxopentanoate |
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Traditional IUPAC Name: |
5-[(diaminomethylidene)amino]-2-oxopentanoic acid |
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SMILES: | C(C(CCCNC(N)=[N+])=O)(=O)[O-] |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as short-chain keto acids and derivatives. These are keto acids with an alkyl chain the contains less than 6 carbon atoms. |
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Kingdom |
Chemical entities |
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Super Class | Organic compounds |
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Class |
Organic acids and derivatives |
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Sub Class | Keto acids and derivatives |
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Direct Parent |
Short-chain keto acids and derivatives |
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Alternative Parents |
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Substituents |
- Short-chain keto acid
- Alpha-keto acid
- Alpha-hydroxy ketone
- Guanidine
- Ketone
- Carboxylic acid derivative
- Carboxylic acid
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Carboximidamide
- Monocarboxylic acid or derivatives
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Carbonyl group
- Organic oxygen compound
- Aliphatic acyclic compound
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Molecular Framework |
Aliphatic acyclic compounds |
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External Descriptors |
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Physical Properties |
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State: |
Solid |
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Charge: | 0 |
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Melting point: |
Not Available |
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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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Biological Properties |
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Cellular Locations: |
Not Available |
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Reactions: | |
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Pathways: |
- D-Arginine and D-Ornithine Metabolism pae00472
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Spectra |
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Spectra: |
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References |
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References: |
- Mizutani N, Hayakawa C, Ohya Y, Watanabe K, Watanabe Y, Mori A: Guanidino compounds in hyperargininemia. Tohoku J Exp Med. 1987 Nov;153(3):197-205. [3433275 ]
- Marescau B, Qureshi IA, De Deyn P, Letarte J, Ryba R, Lowenthal A: Guanidino compounds in plasma, urine and cerebrospinal fluid of hyperargininemic patients during therapy. Clin Chim Acta. 1985 Feb 28;146(1):21-7. [3987036 ]
- Marescau B, De Deyn PP, Lowenthal A, Qureshi IA, Antonozzi I, Bachmann C, Cederbaum SD, Cerone R, Chamoles N, Colombo JP, et al.: Guanidino compound analysis as a complementary diagnostic parameter for hyperargininemia: follow-up of guanidino compound levels during therapy. Pediatr Res. 1990 Mar;27(3):297-303. [1690873 ]
- Marescau B, Deshmukh DR, Kockx M, Possemiers I, Qureshi IA, Wiechert P, De Deyn PP: Guanidino compounds in serum, urine, liver, kidney, and brain of man and some ureotelic animals. Metabolism. 1992 May;41(5):526-32. [1588833 ]
- Wiechert P, Mortelmans J, Lavinha F, Clara R, Terheggen HG, Lowenthal A: Excretion of guanidino-derivates in urine of hyperargininemic patients. J Genet Hum. 1976 Mar;24(1):61-72. [819629 ]
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Synthesis Reference: |
Chibata, Ichiro; Kakimoto, Toshio; Nabe, Koichi; Shibatani, Takeji. a-Keto-d-guanidinovalerianic acid. Jpn. Kokai Tokkyo Koho (1975), 4 pp. |
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Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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External Links: |
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