CHEBI:27852 - 3,4-dihydroxymandelaldehyde

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ChEBI Name 3,4-dihydroxymandelaldehyde ChEBI ID CHEBI:27852 Definition A hydroxyaldehyde consisting of phenylacetaldehyde having three hydroxy substituents located at the α-, 3- and 4-positions. It is a metabolite of noradrenaline. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:1382, CHEBI:19883 Supplier Information No supplier information found for this compound. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H8O4 Net Charge 0 Average Mass 168.14670 Monoisotopic Mass 168.04226 InChI InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H InChIKey YUGMCLJIWGEKCK-UHFFFAOYSA-N SMILES [H]C(=O)C(O)c1ccc(O)c(O)c1 Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Homo sapiens (NCBI:txid9606) Found in brain (BTO:0000142). See: PubMed Roles Classification Biological Role(s): 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). neurotoxin A poison that interferes with the functions of the nervous system. View more via ChEBI Ontology ChEBI Ontology Outgoing 3,4-dihydroxymandelaldehyde (CHEBI:27852) has role human metabolite (CHEBI:77746) 3,4-dihydroxymandelaldehyde (CHEBI:27852) has role mouse metabolite (CHEBI:75771) 3,4-dihydroxymandelaldehyde (CHEBI:27852) has role neurotoxin (CHEBI:50910) 3,4-dihydroxymandelaldehyde (CHEBI:27852) is a catechols (CHEBI:33566) 3,4-dihydroxymandelaldehyde (CHEBI:27852) is a hydroxyaldehyde (CHEBI:50413) Incoming 3-methoxy-4-hydroxyphenylglycolaldehyde (CHEBI:27932) has functional parent 3,4-dihydroxymandelaldehyde (CHEBI:27852) (R)-3,4-dihydroxymandelaldehyde (CHEBI:180943) is a 3,4-dihydroxymandelaldehyde (CHEBI:27852) IUPAC Name (3,4-dihydroxyphenyl)(hydroxy)acetaldehyde Synonyms Sources 2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde ChEBI 3,4-dihydroxymandelaldehyde UniProt 3,4-dihydroxymandelic aldehyde MetaCyc 3,4-Dihydroxyphenylglycolaldehyde ChemIDplus 3,4-dihydroxyphenylglycolic aldehyde ChEBI α,3,4-trihydroxybenzeneacetaldehyde MetaCyc α,3,4-trihydroxyphenylacetaldehyde ChEBI DHMAL MetaCyc DHPGALD MetaCyc DOPEGAL MetaCyc Manual Xrefs Databases C05577 KEGG COMPOUND FDB023855 FooDB HMDB0006242 HMDB View more database links Registry Numbers Types Sources 13023-73-9 CAS Registry Number ChemIDplus 2092210 Reaxys Registry Number Reaxys Citations Last Modified 18 May 2023