CHEBI:18086 - indol-3-ylacetaldehyde

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ChEBI Name indol-3-ylacetaldehyde
ChEBI ID CHEBI:18086
Definition An indoleacetaldehyde that is acetaldehyde in which one of the methyl hydrogens are replaced by a indol-3-yl group. It is an intermediate metabolite in the metabolism of tryptophan.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:24798, CHEBI:5902, CHEBI:14445, CHEBI:11477
Supplier Information
Download Molfile XML SDF
Formula C10H9NO
Net Charge 0
Average Mass 159.18460
Monoisotopic Mass 159.068
InChI InChI=1S/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2
InChIKey WHOOUMGHGSPMGR-UHFFFAOYSA-N
SMILES O=CCc1c[nH]c2ccccc12
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing indol-3-ylacetaldehyde (CHEBI:18086) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
indol-3-ylacetaldehyde (CHEBI:18086) has role bacterial metabolite (CHEBI:76969)
indol-3-ylacetaldehyde (CHEBI:18086) has role human metabolite (CHEBI:77746)
indol-3-ylacetaldehyde (CHEBI:18086) has role mouse metabolite (CHEBI:75771)
indol-3-ylacetaldehyde (CHEBI:18086) is a indoleacetaldehyde (CHEBI:24823)
IUPAC Name
1H-indol-3-ylacetaldehyde
Synonyms Sources
1H-Indole-3-acetaldehyde ChemIDplus
2-(Indol-3-yl)acetaldehyde KEGG COMPOUND
Indole-3-acetaldehyde KEGG COMPOUND
indole-3-acetaldehyde UniProt
Indoleacetaldehyde KEGG COMPOUND
Database Links Databases
C00000109 KNApSAcK
C00637 KEGG COMPOUND
HMDB0001190 HMDB
INDOLE_ACETALDEHYDE MetaCyc
View more database links
Registry Numbers Types Sources
121586 Reaxys Registry Number Reaxys
121586 Beilstein Registry Number Beilstein
2591-98-2 CAS Registry Number KEGG COMPOUND
2591-98-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
20217460 PubMed citation Europe PMC
22274708 PubMed citation Europe PMC
4015706 PubMed citation Europe PMC
4031860 PubMed citation Europe PMC
6862384 PubMed citation Europe PMC
Last Modified
27 January 2016