| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:06:06 UTC |
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| Update Date | 2020-05-21 16:28:47 UTC |
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| BMDB ID | BMDB0003791 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 3,4-Dihydroxyphenylacetaldehyde |
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| Description | 3,4-Dihydroxyphenylacetaldehyde, also known as 3,4-dihydroxyphenylacetaldehyde or 3,4-dihydroxyphenylacetaldehyde, belongs to the class of organic compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. 3,4-Dihydroxyphenylacetaldehyde is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3,4-Dihydroxyphenylacetaldehyde exists in all living organisms, ranging from bacteria to humans. 3,4-Dihydroxyphenylacetaldehyde participates in a number of enzymatic reactions, within cattle. In particular, 3,4-Dihydroxyphenylacetaldehyde can be biosynthesized from dopamine; which is catalyzed by the enzyme amine oxidase [flavin-containing] a. In addition, 3,4-Dihydroxyphenylacetaldehyde can be converted into 3,4-dihydroxybenzeneacetic acid; which is mediated by the enzyme 3,4-dihydroxyphenylacetaldehyde. In cattle, 3,4-dihydroxyphenylacetaldehyde is involved in the metabolic pathway called the tyrosine metabolism pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2-(3,4-Dihydroxyphenyl)ethanal | ChEBI | | DOPAL | ChEBI | | Protocatechuatealdehyde | ChEBI | | DHPAA aldehyde | MeSH | | 3,4-Dihydroxy-benzeneacetaldehyde | HMDB |
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| Chemical Formula | C8H8O3 |
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| Average Molecular Weight | 152.1473 |
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| Monoisotopic Molecular Weight | 152.047344122 |
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| IUPAC Name | 2-(3,4-dihydroxyphenyl)acetaldehyde |
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| Traditional Name | dopal |
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| CAS Registry Number | 5707-55-1 |
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| SMILES | OC1=C(O)C=C(CC=O)C=C1 |
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| InChI Identifier | InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2 |
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| InChI Key | IADQVXRMSNIUEL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Phenylacetaldehydes |
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| Direct Parent | Phenylacetaldehydes |
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| Alternative Parents | |
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| Substituents | - Phenylacetaldehyde
- Catechol
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Alpha-hydrogen aldehyde
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aldehyde
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | 1.005 | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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