Record Information |
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Version | 5.0 |
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Status | Expected but not Quantified |
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Creation Date | 2021-09-24 09:43:43 UTC |
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Update Date | 2021-09-24 09:43:43 UTC |
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HMDB ID | HMDB0304431 |
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Secondary Accession Numbers | None |
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Metabolite Identification |
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Common Name | N5-formyl-N5-hydroxy-L-ornithine |
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Description | N5-formyl-n5-hydroxy-l-ornithine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. N5-formyl-n5-hydroxy-l-ornithine is soluble (in water) and a moderately acidic compound (based on its pKa). N5-formyl-n5-hydroxy-l-ornithine can be found in a number of food items such as chinese chives, european chestnut, okra, and mung bean, which makes n5-formyl-n5-hydroxy-l-ornithine a potential biomarker for the consumption of these food products. |
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Structure | [H][C@](N)(CCCN(O)C=O)C(O)=O InChI=1S/C6H12N2O4/c7-5(6(10)11)2-1-3-8(12)4-9/h4-5,12H,1-3,7H2,(H,10,11)/t5-/m0/s1 |
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Synonyms | Value | Source |
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(2S)-2-Amino-5-(N-hydroxyformamido)pentanoate | Generator |
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Chemical Formula | C6H12N2O4 |
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Average Molecular Weight | 176.1705 |
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Monoisotopic Molecular Weight | 176.079706882 |
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IUPAC Name | (2S)-2-amino-5-(N-hydroxyformamido)pentanoic acid |
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Traditional Name | (2S)-2-amino-5-(N-hydroxyformamido)pentanoic acid |
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CAS Registry Number | Not Available |
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SMILES | [H][C@](N)(CCCN(O)C=O)C(O)=O |
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InChI Identifier | InChI=1S/C6H12N2O4/c7-5(6(10)11)2-1-3-8(12)4-9/h4-5,12H,1-3,7H2,(H,10,11)/t5-/m0/s1 |
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InChI Key | KORLZEIJSHHTDW-YFKPBYRVSA-N |
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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
- Fatty acid
- Hydroxamic acid
- Amino acid
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Amine
- Hydrocarbon derivative
- Organic oxygen compound
- Organic nitrogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- 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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Physiological effect | Not Available |
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Disposition | |
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Process | Not Available |
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Role | Not Available |
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Physical Properties |
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State | Not Available |
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Experimental Molecular 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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Experimental Chromatographic Properties | Not Available |
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Predicted Molecular Properties | | Show more...
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Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
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N5-formyl-N5-hydroxy-L-ornithine,2TMS,isomer #1 | C[Si](C)(C)N[C@@H](CCCN(O)C=O)C(=O)O[Si](C)(C)C | 1826.0 | Semi standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TMS,isomer #1 | C[Si](C)(C)N[C@@H](CCCN(O)C=O)C(=O)O[Si](C)(C)C | 1814.8 | Standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TMS,isomer #1 | C[Si](C)(C)N[C@@H](CCCN(O)C=O)C(=O)O[Si](C)(C)C | 2600.1 | Standard polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TMS,isomer #2 | C[Si](C)(C)N([C@@H](CCCN(O)C=O)C(=O)O)[Si](C)(C)C | 1966.5 | Semi standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TMS,isomer #2 | C[Si](C)(C)N([C@@H](CCCN(O)C=O)C(=O)O)[Si](C)(C)C | 1898.4 | Standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TMS,isomer #2 | C[Si](C)(C)N([C@@H](CCCN(O)C=O)C(=O)O)[Si](C)(C)C | 2820.3 | Standard polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](CCCN(O)C=O)N([Si](C)(C)C)[Si](C)(C)C | 1983.0 | Semi standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](CCCN(O)C=O)N([Si](C)(C)C)[Si](C)(C)C | 1925.6 | Standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@H](CCCN(O)C=O)N([Si](C)(C)C)[Si](C)(C)C | 2369.9 | Standard polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CCCN(O)C=O)C(=O)O[Si](C)(C)C(C)(C)C | 2306.7 | Semi standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CCCN(O)C=O)C(=O)O[Si](C)(C)C(C)(C)C | 2269.2 | Standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)N[C@@H](CCCN(O)C=O)C(=O)O[Si](C)(C)C(C)(C)C | 2613.7 | Standard polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N([C@@H](CCCN(O)C=O)C(=O)O)[Si](C)(C)C(C)(C)C | 2431.5 | Semi standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N([C@@H](CCCN(O)C=O)C(=O)O)[Si](C)(C)C(C)(C)C | 2339.1 | Standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N([C@@H](CCCN(O)C=O)C(=O)O)[Si](C)(C)C(C)(C)C | 2736.3 | Standard polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(O)C=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2680.1 | Semi standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(O)C=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2568.5 | Standard non polar | 33892256 | N5-formyl-N5-hydroxy-L-ornithine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCN(O)C=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 2562.2 | Standard polar | 33892256 |
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