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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 | PAMDB120492 |
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Identification |
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| Name: |
AAI |
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| Description: | Not Available |
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Structure |
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| Synonyms: | - N-(3-oxooctanoyl)-L-homoserine lactone
- AI-1 (A. tumefaciens)
- autoinducer 1 (A. tumefaciens)
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Chemical Formula: |
C12H19NO4 |
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| Average Molecular Weight: |
241.286 |
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| Monoisotopic Molecular
Weight: |
241.13141 |
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| InChI Key: |
FXCMGCFNLNFLSH-JTQLQIEISA-N |
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| InChI: | InChI=1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | Not Available |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | CCCCCC(=O)CC(NC1(CCOC(=O)1))=O |
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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
- Fatty amide
- Gamma butyrolactone
- N-acyl-amine
- Fatty acyl
- 1,3-dicarbonyl compound
- Oxolane
- Carboxamide group
- Carboxylic acid ester
- Ketone
- Lactone
- Secondary carboxylic acid amide
- Monocarboxylic acid or derivatives
- Oxacycle
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxygen compound
- Organic oxide
- Organopnictogen compound
- Aldehyde
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Carbonyl group
- Aliphatic heteromonocyclic compound
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| Molecular Framework |
Aliphatic heteromonocyclic compounds |
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| External Descriptors |
- an acyl-homoserine lactone (CPD-10782)
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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: |
Not Available |
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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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