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CHEBI:28238 - indole-3-carbaldehyde

Default Structure
ChEBI IDCHEBI:28238
ChEBI Nameindole-3-carbaldehyde
Stars
DefinitionA heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group.
Secondary ChEBI IDsCHEBI:5909, CHEBI:24807
Last Modified15 January 2019
DownloadsMolfile
FormulaC9H7NO
Net Charge0
Average Mass145.161
Monoisotopic Mass145.05276
SMILES[H]C(=O)c1cnc2ccccc12
InChIInChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
InChIKeyOLNJUISKUQQNIM-UHFFFAOYSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Aquilaria sinensis (ncbitaxon:210372) - PubMed (27128895)
Arabidopsis thaliana (ncbitaxon:3702)
root (BTO:0001188) PubMed (25457500)
root (BTO:0001188) MetaboLights (MTBLS160)
Enterobacter cloacae (ncbitaxon:550) - PubMed (25427277)
Ipomoea batatas (ncbitaxon:4120) leaf (BTO:0000713) PubMed (27132824)
Marinomonas sp. (ncbitaxon:28253) - PubMed (26939983)
Patrinia villosa (ncbitaxon:183944) leaf (BTO:0000713) PubMed (27019553)
Sphagneticola trilobata (ncbitaxon:53737) whole plant (BTO:0001461) PubMed (26946839)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
marine metabolite  Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
indole-3-carbaldehyde (CHEBI:28238) has role bacterial metabolite (CHEBI:76969)
indole-3-carbaldehyde (CHEBI:28238) has role human xenobiotic metabolite (CHEBI:76967)
indole-3-carbaldehyde (CHEBI:28238) has role marine metabolite (CHEBI:76507)
indole-3-carbaldehyde (CHEBI:28238) has role plant metabolite (CHEBI:76924)
indole-3-carbaldehyde (CHEBI:28238) is a heteroarenecarbaldehyde (CHEBI:49104)
indole-3-carbaldehyde (CHEBI:28238) is a indole alkaloid (CHEBI:38958)
indole-3-carbaldehyde (CHEBI:28238) is a indoles (CHEBI:24828)
IUPAC Name 
1H-indole-3-carbaldehyde
Synonyms  Source
1H-Indole-3-carboxaldehydeChemIDplus
3-FormylindoleChemIDplus
3-IndolealdehydeHMDB
3-IndolecarbaldehydeHMDB
3-IndolecarboxaldehydeHMDB
beta-IndolylaldehydeChemIDplus
UniProt Name  Source
indole-3-carbaldehydeUniProt
Manual XrefsDatabases
9838ChemSpider
C00000112KNApSAcK
C08493KEGG COMPOUND
HMDB0029737HMDB
I3APDBeChem
Indole-3-carboxaldehydeWikipedia
INDOLE-3-CARBOXALDEHYDEMetaCyc
Registry NumbersSources
Reaxys:114117Reaxys
CAS:487-89-8KEGG COMPOUND
CAS:487-89-8ChemIDplus
CAS:487-89-8NIST Chemistry WebBook
Citations