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 | PAMDB120203 |
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Identification |
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Name: |
HAI-1 |
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Description: | Not Available |
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Structure |
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Synonyms: | - N-(3-hydroxybutanoyl)-L-homoserine lactone
- AI-1 (Vibrio harveyi)
- autoinducer 1 (Vibrio harveyi)
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Chemical Formula: |
C8H13NO4 |
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Average Molecular Weight: |
187.195 |
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Monoisotopic Molecular
Weight: |
187.08446 |
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InChI Key: |
FIXDIFPJOFIIEC-RITPCOANSA-N |
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InChI: | InChI=1S/C8H13NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h5-6,10H,2-4H2,1H3,(H,9,11)/t5-,6+/m1/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: | CC(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
- Fatty amide
- Gamma butyrolactone
- N-acyl-amine
- Fatty acyl
- Tetrahydrofuran
- Carboxamide group
- Carboxylic acid ester
- Lactone
- Secondary alcohol
- Secondary carboxylic acid amide
- Oxacycle
- Monocarboxylic acid or derivatives
- Organoheterocyclic compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Alcohol
- Organic nitrogen compound
- Organonitrogen compound
- Organooxygen compound
- Organic oxygen 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-10781)
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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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