CHEBI:28508 - 2,5-dihydroxybenzaldehyde

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2,5-dihydroxybenzaldehyde ChEBI ID CHEBI:28508 Definition A dihydroxybenzaldehyde carrying hydroxy groups at positions 2 and 5. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:5322, CHEBI:50203, CHEBI:24217 Supplier Information ChemicalBook:CB7146305, eMolecules:502517, ZINC000000895809 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C7H6O3 Net Charge 0 Average Mass 138.12074 Monoisotopic Mass 138.03169 InChI InChI=1S/C7H6O3/c8-4-5-3-6(9)1-2-7(5)10/h1-4,9-10H InChIKey CLFRCXCBWIQVRN-UHFFFAOYSA-N SMILES [H]C(=O)c1cc(O)ccc1O Metabolite of Species Details Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed Penicillium urticae (NCBI:txid29844) See: PubMed Penicillium griseofulvum (NCBI:txid5078) See: PubMed Homo sapiens (NCBI:txid9606) See: DOI Roles Classification Biological Role(s): mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Penicillium metabolite Any fungal metabolite produced during a metabolic reaction in Penicillium. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 2,5-dihydroxybenzaldehyde (CHEBI:28508) has role Penicillium metabolite (CHEBI:76964) 2,5-dihydroxybenzaldehyde (CHEBI:28508) has role human metabolite (CHEBI:77746) 2,5-dihydroxybenzaldehyde (CHEBI:28508) has role mouse metabolite (CHEBI:75771) 2,5-dihydroxybenzaldehyde (CHEBI:28508) is a dihydroxybenzaldehyde (CHEBI:50196) IUPAC Name 2,5-dihydroxybenzaldehyde Synonyms Sources 2,5-dihydroxybenzaldehyde UniProt 2,5-Dihydroxybenzaldehyde KEGG COMPOUND gentisaldehyde ChemIDplus Gentisate aldehyde KEGG COMPOUND Manual Xrefs Databases C05585 KEGG COMPOUND CPD-16722 MetaCyc HMDB0004062 HMDB View more database links Registry Numbers Types Sources 1194-98-5 CAS Registry Number ChemIDplus 1194-98-5 CAS Registry Number NIST Chemistry WebBook 1363961 Reaxys Registry Number Reaxys 218296 Gmelin Registry Number Gmelin Citations Last Modified 15 October 2019