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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120378 |
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Identification |
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| Name: |
VAI-1 |
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| Description: | An N-acyl-L-homoserine lactone having 3-oxohexanoyl as the acyl substituent. |
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Structure |
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| Synonyms: | - (S)-3-(3-ketohexanamido)-2-oxotetrahydrofuran
- (S)-3-(3-ketohexanamido)butyrolactone
- (S)-3-(3-oxohexanamido)-2-oxotetrahydrofuran
- (S)-3-(3-oxohexanamido)butyrolactone
- N-(3-ketocaproyl)-L-homoserine lactone
- N-(3-ketohexanoyl)-L-homoserine lactone
- N-(β-ketocaproyl)-L-homoserine lactone
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Chemical Formula: |
C10H15NO4 |
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| Average Molecular Weight: |
213.233 |
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| Monoisotopic Molecular
Weight: |
213.10011 |
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| InChI Key: |
YRYOXRMDHALAFL-QMMMGPOBSA-N |
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| InChI: | InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 3-oxo-N-[(3S)-2-oxotetrahydrofuran-3-yl]hexanamide |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CCCC(=O)CC(=O)NC1(CCOC(=O)1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen 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 |
N-acyl-alpha amino acids and derivatives |
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| Alternative Parents |
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| Substituents |
- Alpha-amino acid ester
- N-acyl-alpha amino acid or derivatives
- Acyl-homoserine lactone
- Beta-hydroxy ketone
- Gamma butyrolactone
- Tetrahydrofuran
- Carboxylic acid ester
- Ketone
- Lactone
- Carboximidic acid
- Carboximidic acid derivative
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Organopnictogen compound
- Carbonyl group
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Aliphatic heteromonocyclic compound
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| Molecular Framework |
Aliphatic heteromonocyclic compounds |
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| External Descriptors |
- N-acyl homoserine lactone (CHEBI:29640)
- Fatty acyl homoserine lactones (C11839)
- Fatty acyl homoserine lactones (LMFA08030003)
- an acyl-homoserine lactone (CPD-10780)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | 0 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
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| Synthesis Reference: |
Not Available |
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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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