|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 11:54:54 AM |
|---|
|
Metabolite ID | PAMDB110679 |
|---|
|
Identification |
|---|
| Name: |
betaine aldehyde hydrate |
|---|
| Description: | A quaternary ammonium ion that is the hydrate of betaine aldehyde. |
|---|
|
Structure |
|
|---|
| Synonyms: | Not Available |
|---|
|
Chemical Formula: |
C5H14NO2
|
|---|
| Average Molecular Weight: |
120.1024536988 |
|---|
| Monoisotopic Molecular
Weight: |
120.1024536988 |
|---|
| InChI Key: |
HEHORKLRCFPRON-UHFFFAOYSA-N |
|---|
| InChI: |
InChI=1S/C5H14NO2/c1-6(2,3)4-5(7)8/h5,7-8H,4H2,1-3H3/q+1 |
|---|
| CAS
number: |
Not Available |
|---|
| IUPAC Name: | 2,2-dihydroxy-N,N,N-trimethylethanaminium |
|---|
|
Traditional IUPAC Name: |
Not Available |
|---|
| SMILES: | C[N+](C)(CC(O)O)C |
|---|
|
Chemical Taxonomy |
|---|
|
Taxonomy Description | This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation. |
|---|
|
Kingdom |
Organic compounds |
|---|
| Super Class | Organic nitrogen compounds |
|---|
|
Class |
Organonitrogen compounds |
|---|
| Sub Class | Quaternary ammonium salts |
|---|
|
Direct Parent |
Cholines |
|---|
| Alternative Parents |
|
|---|
| Substituents |
- Choline
- Tetraalkylammonium salt
- Carbonyl hydrate
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Organic salt
- Organooxygen compound
- Amine
- Organic cation
- Aliphatic acyclic compound
|
|---|
| Molecular Framework |
Aliphatic acyclic compounds |
|---|
| External Descriptors |
- quaternary ammonium ion, aldehyde hydrate (CHEBI:15870)
- a small molecule (BETAINE-ALDEHYDE-HYDRATE)
|
|---|
|
Physical Properties |
|---|
| State: |
Not Available |
|---|
| Charge: | +1 |
|---|
|
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: |
|
|---|
