CHEBI:27978 - 3,4-dihydroxyphenylacetaldehyde

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ChEBI Name 3,4-dihydroxyphenylacetaldehyde ChEBI ID CHEBI:27978 Definition A phenylacetaldehyde in which the 3 and 4 positions of the phenyl group are substituted by hydroxy groups. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1385, CHEBI:19888 Supplier Information ZINC000000901908 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C8H8O3 Net Charge 0 Average Mass 152.14730 Monoisotopic Mass 152.04734 InChI InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2 InChIKey IADQVXRMSNIUEL-UHFFFAOYSA-N SMILES [H]C(=O)Cc1ccc(O)c(O)c1 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Escherichia coli (NCBI:txid562) See: PubMed Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Biological Role(s): Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). View more via ChEBI Ontology ChEBI Ontology Outgoing 3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) has role Escherichia coli metabolite (CHEBI:76971) 3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) has role human metabolite (CHEBI:77746) 3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) has role mouse metabolite (CHEBI:75771) 3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) is a α-CH2-containing aldehyde (CHEBI:73359) 3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) is a catechols (CHEBI:33566) 3,4-dihydroxyphenylacetaldehyde (CHEBI:27978) is a phenylacetaldehydes (CHEBI:25973) IUPAC Name (3,4-dihydroxyphenyl)acetaldehyde Synonyms Sources 2-(3,4-dihydroxyphenyl)ethanal ChEBI 3,4-Dihydroxyphenylacetaldehyde KEGG COMPOUND 3,4-dihydroxyphenylacetaldehyde UniProt DOPAL ChEBI Protocatechuatealdehyde KEGG COMPOUND Manual Xrefs Databases 3,4-Dihydroxyphenylacetaldehyde Wikipedia 34-DIHYDROXYPHENYLACETALDEHYDE MetaCyc C00052036 KNApSAcK C04043 KEGG COMPOUND FDB023227 FooDB HMDB0003791 HMDB View more database links Registry Numbers Types Sources 1941234 Reaxys Registry Number Reaxys 5707-55-1 CAS Registry Number ChemIDplus Citations Last Modified 19 October 2021

General Comment 2011-01-13 3,4-dihydroxyphenylacetaldehyde is a metabolite of the neurotransmitter dopamine.