CHEBI:33070 - indole-3-butyric acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways
ChEBI Name indole-3-butyric acid
ChEBI ID CHEBI:33070
Definition A indol-3-yl carboxylic acid that is butanoic acid carrying a 1H-indol-3-yl substituent at position 1.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:39986, CHEBI:24806, CHEBI:5914
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Formula C12H13NO2
Net Charge 0
Average Mass 203.23710
InChI InChI=1S/C12H13NO2/c14-12(15)7-3-4-9-8-13-11-6-2-1-5-10(9)11/h1-2,5-6,8,13H,3-4,7H2,(H,14,15)
InChIKey JTEDVYBZBROSJT-UHFFFAOYSA-N
SMILES OC(=O)CCCc1c[nH]c2ccccc12
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): plant hormone
A plant growth regulator that modulates the formation of stems, leaves and flowers, as well as the development and ripening of fruit. The term includes endogenous and non-endogenous compounds (e.g. active compounds produced by bacteria on the leaf surface) as well as semi-synthetic and fully synthetic compounds.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
auxin
Any of a group of compounds, both naturally occurring and synthetic, that induce cell elongation in plant stems (from Greek alphaupsilonxialphanuomega, "to grow").
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ChEBI Ontology
Outgoing indole-3-butyric acid (CHEBI:33070) has functional parent butyric acid (CHEBI:30772)
indole-3-butyric acid (CHEBI:33070) has role auxin (CHEBI:22676)
indole-3-butyric acid (CHEBI:33070) has role plant hormone (CHEBI:37848)
indole-3-butyric acid (CHEBI:33070) has role plant metabolite (CHEBI:76924)
indole-3-butyric acid (CHEBI:33070) is a indol-3-yl carboxylic acid (CHEBI:24810)
IUPAC Name
4-(1H-indol-3-yl)butanoic acid
Synonyms Sources
1H-indole-3-butanoic acid ChemIDplus
3-INDOLEBUTYRIC ACID PDBeChem
3-indolyl-γ-butyric acid ChemIDplus
4-(indol-3-yl)butyric acid ChemIDplus
4-indol-3-ylbutyric acid ChemIDplus
IBA ChemIDplus
IBA KEGG COMPOUND
indole-3-butanoic acid ChemIDplus
indole-3-butyric acid ChemIDplus
Indole-3-butyric acid KEGG COMPOUND
Indolebutyric acid KEGG COMPOUND
Seradix ChemIDplus
Database Links Databases
3IB PDBeChem
C00000116 KNApSAcK
C11284 KEGG COMPOUND
DB02740 DrugBank
HMDB02096 HMDB
Indole-3-butyric_acid Wikipedia
View more database links
Registry Numbers Types Sources
133-32-4 CAS Registry Number KEGG COMPOUND
133-32-4 CAS Registry Number ChemIDplus
143637 Gmelin Registry Number Gmelin
171120 Beilstein Registry Number Beilstein
171120 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23201417 PubMed citation CiteXplore
23795714 PubMed citation CiteXplore
Last Modified
28 July 2014