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CHEBI:17597 - 4-hydroxybenzaldehyde

Default Structure
ChEBI IDCHEBI:17597
ChEBI Name4-hydroxybenzaldehyde
Stars
DefinitionA hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4.
Secondary ChEBI IDsCHEBI:1857, CHEBI:12002, CHEBI:20396, CHEBI:43009
Last Modified20 December 2017
DownloadsMolfile
FormulaC7H6O2
Net Charge0
Average Mass122.123
Monoisotopic Mass122.03678
SMILES[H]C(=O)c1ccc(O)cc1
InChIInChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
InChIKeyRGHHSNMVTDWUBI-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Pisonia aculeata (ncbitaxon:363212)
stem (BTO:0001300) PubMed (21542597) Cold methanolic extract of dried stems and roots
root (BTO:0001188) PubMed (21542597) Cold methanolic extract of dried stems and roots
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 1.14.17.1 (dopamine beta-monooxygenase) inhibitor  An EC 1.14.17.* (oxidoreductase acting on paired donors, with incorporation or reduction of molecular oxygen and with reduced ascorbate as one donor, and incorporation of one atom of oxygen) inhibitor that interferes with the action of dopamine monooxygenase (EC 1.14.17.1).
ChEBI Ontology
Outgoing Relation(s)
4-hydroxybenzaldehyde (CHEBI:17597) has role EC 1.14.17.1 (dopamine β-monooxygenase) inhibitor (CHEBI:139339)
4-hydroxybenzaldehyde (CHEBI:17597) has role mouse metabolite (CHEBI:75771)
4-hydroxybenzaldehyde (CHEBI:17597) has role plant metabolite (CHEBI:76924)
4-hydroxybenzaldehyde (CHEBI:17597) is a hydroxybenzaldehyde (CHEBI:24673)
IUPAC Name 
4-hydroxybenzaldehyde
Synonyms  Source
4-formylphenolChemIDplus
4-HydroxybenzaldehydeKEGG COMPOUND
p-formylphenolNIST Chemistry WebBook
p-HydroxybenzaldehydeKEGG COMPOUND
P-HYDROXYBENZALDEHYDEPDBeChem
UniProt Name  Source
4-hydroxybenzaldehydeUniProt
Manual XrefsDatabases
4-HydroxybenzaldehydeWikipedia
4-HYDROXYBENZALDEHYDEMetaCyc
C00002657KNApSAcK
C00633KEGG COMPOUND
c0285UM-BBD
DB03560DrugBank
HBAPDBeChem
HMDB0011718HMDB
Registry NumbersSources
Reaxys:471352Reaxys
Gmelin:82654Gmelin
CAS:123-08-0KEGG COMPOUND
CAS:123-08-0ChemIDplus
CAS:123-08-0NIST Chemistry WebBook
Citations