| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2020-03-10 17:00:58 UTC |
|---|
| Update Date | 2020-04-22 18:55:58 UTC |
|---|
| BMDB ID | BMDB0096086 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | 3,5-Dihydroxybenzoic acid |
|---|
| Description | 3,5-Dihydroxybenzoic acid, also known as alpha-resorcylic acid or a-resorcylate, belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. Based on a literature review a significant number of articles have been published on 3,5-Dihydroxybenzoic acid. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| alpha-Resorcylic acid | ChEBI | | a-Resorcylate | Generator | | a-Resorcylic acid | Generator | | alpha-Resorcylate | Generator | | Α-resorcylate | Generator | | Α-resorcylic acid | Generator | | 3,5-Dihydroxybenzoate | Generator | | 3,5-Dihydroxy-benzoic acid | HMDB | | 3,5-Dihydroxybenzoic acid (acd/name 4.0) | HMDB | | 5-Carboxyresorcinol | HMDB | | Benzoate | HMDB | | Benzoic acid | HMDB | | alpha-Resorcylic acid, copper (2+) salt | MeSH, HMDB | | alpha-Resorcylic acid, sodium salt | MeSH, HMDB | | 3,5-DHBA | HMDB | | 3,5-Dihydroxybenzoic acid | HMDB |
|
|---|
| Chemical Formula | C7H6O4 |
|---|
| Average Molecular Weight | 154.121 |
|---|
| Monoisotopic Molecular Weight | 154.026608673 |
|---|
| IUPAC Name | 3,5-dihydroxybenzoic acid |
|---|
| Traditional Name | 3,5-dihydroxybenzoic acid |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | OC(=O)C1=CC(O)=CC(O)=C1 |
|---|
| InChI Identifier | InChI=1S/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11) |
|---|
| InChI Key | UYEMGAFJOZZIFP-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. Hydroxybenzoic acid derivatives are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups. |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Benzenoids |
|---|
| Class | Benzene and substituted derivatives |
|---|
| Sub Class | Benzoic acids and derivatives |
|---|
| Direct Parent | Hydroxybenzoic acid derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - Hydroxybenzoic acid
- Benzoic acid
- Resorcinol
- Benzoyl
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Aromatic homomonocyclic compound
|
|---|
| Molecular Framework | Aromatic homomonocyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Expected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | Not Available |
|---|
| Physical Properties |
|---|
| State | Not Available |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
