|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 11:54:54 AM |
|---|
|
Metabolite ID | PAMDB120203 |
|---|
|
Identification |
|---|
| Name: |
HAI-1 |
|---|
| Description: | Not Available |
|---|
|
Structure |
|
|---|
| Synonyms: | - N-(3-hydroxybutanoyl)-L-homoserine lactone
- AI-1 (Vibrio harveyi)
- autoinducer 1 (Vibrio harveyi)
|
|---|
|
Chemical Formula: |
C8H13NO4 |
|---|
| Average Molecular Weight: |
187.195 |
|---|
| Monoisotopic Molecular
Weight: |
187.08446 |
|---|
| InChI Key: |
FIXDIFPJOFIIEC-RITPCOANSA-N |
|---|
| 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 |
|---|
| CAS
number: |
Not Available |
|---|
| IUPAC Name: | Not Available |
|---|
|
Traditional IUPAC Name: |
Not Available |
|---|
| SMILES: | CC(O)CC(=O)NC1(CCOC(=O)1) |
|---|
|
Chemical Taxonomy |
|---|
|
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. |
|---|
|
Kingdom |
Organic compounds |
|---|
| Super Class | Organic acids and derivatives |
|---|
|
Class |
Carboxylic acids and derivatives |
|---|
| Sub Class | Amino acids, peptides, and analogues |
|---|
|
Direct Parent |
N-acyl-alpha amino acids and derivatives |
|---|
| Alternative Parents |
|
|---|
| 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
|
|---|
| Molecular Framework |
Aliphatic heteromonocyclic compounds |
|---|
| External Descriptors |
- an acyl-homoserine lactone (CPD-10781)
|
|---|
|
Physical Properties |
|---|
| State: |
Not Available |
|---|
| Charge: | 0 |
|---|
|
Melting point: |
Not Available |
|---|
| Experimental Properties: |
Not Available |
|---|
| Predicted Properties |
|
|---|
|
Biological Properties |
|---|
| Cellular Locations: |
Not Available |
|---|
| Reactions: | |
|---|
|
Pathways: |
|
|---|
|
Spectra |
|---|
| Spectra: |
Not Available |
|---|
|
References |
|---|
| References: |
Not Available |
|---|
| Synthesis Reference: |
Not Available |
|---|
| Material Safety Data Sheet (MSDS) |
Not Available |
|---|
|
Links |
|---|
| External Links: |
|
|---|
