| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2015-10-09 22:31:46 UTC |
|---|
| Update date | 2017-01-19 02:36:31 UTC |
|---|
| FoodComEx ID | PC000646 |
|---|
| FoodDB Record | FDB023173 |
|---|
| Chemical Information |
|---|
| Name | L-Histidinol |
|---|
| Description | L-Histidinol, also known as HSO or histidol, belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. L-Histidinol is a very strong basic compound (based on its pKa). L-Histidinol exists in all living species, ranging from bacteria to humans. Outside of the human body, L-Histidinol has been detected, but not quantified in, several different foods, such as salmonberries, spinachs, yautia, nopals, and corn salad. This could make L-histidinol a potential biomarker for the consumption of these foods. An amino alcohol that is propanol substituted by 1H-imidazol-4-yl group at position 3 and an amino group at position 2 (the 2S stereoisomer). |
|---|
| CAS Number | 4836-52-6 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| (S)-beta-Amino-1H-imidazole-4-propanol | hmdb | | 4-[(S)-2-amino-3-Hydroxypropyl]imidazole | ChEBI | | Histidinol | HMDB | | HSO | hmdb | | Imidazole C-4(5) deriv. 4 | hmdb |
|
|---|
| Chemical Formula | C6H11N3O |
|---|
| IUPAC name | (2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol |
|---|
| InChI Identifier | InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1 |
|---|
| InChI Key | ZQISRDCJNBUVMM-YFKPBYRVSA-N |
|---|
| Isomeric SMILES | N[C@H](CO)CC1=CN=CN1 |
|---|
| Average Molecular Weight | 141.171 |
|---|
| Monoisotopic Molecular Weight | 141.090211989 |
|---|
| Chemical Taxonomy |
|---|
| Description | Belongs to the class of organic compounds known as aralkylamines. These are alkylamines in which the alkyl group is substituted at one carbon atom by an aromatic hydrocarbyl group. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organic nitrogen compounds |
|---|
| Class | Organonitrogen compounds |
|---|
| Sub Class | Amines |
|---|
| Direct Parent | Aralkylamines |
|---|
| Alternative Parents | |
|---|
| Substituents | - Aralkylamine
- Azole
- Imidazole
- Heteroaromatic compound
- 1,2-aminoalcohol
- Azacycle
- Organoheterocyclic compound
- Organic oxygen compound
- Primary amine
- Primary alcohol
- Organooxygen compound
- Primary aliphatic amine
- Alcohol
- Hydrocarbon derivative
- Organopnictogen compound
- Aromatic heteromonocyclic compound
|
|---|
| Molecular Framework | Aromatic heteromonocyclic compounds |
|---|
| External Descriptors | |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Property | Value | Reference |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Melting Point | Not Available | |
|---|
|
| Foods of Origin |
|---|
| Food | Content Range | Average | Reference |
|---|
| Food | | | Reference |
|---|
|
| Production Data |
|---|
| Production Method | commercial |
|---|
| Production Method Reference | Not Available |
|---|
| Production Method Reference File | Not Available |
|---|
| Quantity Available | Production upon request, up to 20 mg |
|---|
| Delivery Time | Not Available |
|---|
| Storage Form | solid |
|---|
| Storage Conditions | -80°C |
|---|
| Stability | Not Available |
|---|
| Purity | Not Available |
|---|
| Spectra |
|---|
| Spectral Data Upon Request | Not Available |
|---|
| Provider Information |
|---|
|
| Commercial Vendors |
|---|
| Not Available |
