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Details

Stereochemistry ACHIRAL
Molecular Formula C9H7NO2
Molecular Weight 161.1574
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of INDOLE-3-CARBOXYLIC ACID

SMILES

OC(=O)C1=CNC2=CC=CC=C12

InChI

InChIKey=KMAKOBLIOCQGJP-UHFFFAOYSA-N
InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)

HIDE SMILES / InChI

Molecular Formula C9H7NO2
Molecular Weight 161.1574
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
The analysis of indolic tryptophan metabolites in human urine. Thin-layer chromatography and in situ quantitation.
1974 Jul 17
Basic profiles of organic acids in urine.
1990 Jan 26
In vitro and in vivo assessment of the antioxidant activity of melatonin and related indole derivatives.
2002 Jun
Novel reversible indole-3-carboxylate decarboxylase catalyzing nonoxidative decarboxylation.
2002 Nov
Pharmacokinetics and tissue disposition of indole-3-carbinol and its acid condensation products after oral administration to mice.
2004 Aug 1
Universally occurring phenylpropanoid and species-specific indolic metabolites in infected and uninfected Arabidopsis thaliana roots and leaves.
2004 Mar
Production of a novel indole ester from 2-aminobenzoate by Rhodobacter sphaeroides OU5.
2005 Feb
Glycine conjugates in a lepidopteran insect herbivore--the metabolism of benzylglucosinolate in the cabbage white butterfly, Pieris rapae.
2006 Dec
Immobilization of tyrosinase on poly(indole-5-carboxylic acid) evidenced by electrochemical and spectroscopic methods.
2006 Sep
SmI(2)-promoted radical addition reactions with N-(2-Indolylacyl)oxazolidinones: synthesis of bisindole compounds.
2007 May 25
Benhamycin, novel alkaloid from terrestrial Streptomyces sp.
2007 Nov
Enantioselective synthesis of (-)-cis-clavicipitic acid.
2007 Oct 12
Electrospray ionization mass spectra of piperazimycins A and B and gamma-butyrolactones from a marine-derived Streptomyces sp.
2008 Dec
Synthesis of indole-3-carboxylic acid derivatives by Pd(0)-catalyzed intramolecular alpha-arylation of beta-(2-iodoanilino) esters.
2008 Mar 21
[Chemical constituents of Alisma orientalis and their immunosuppressive function].
2009 Apr
A rapid and sensitive method for the simultaneous analysis of aliphatic and polar molecules containing free carboxyl groups in plant extracts by LC-MS/MS.
2009 Nov 25
Stemphol galactoside, a new stemphol derivative isolated from the tropical endophytic fungus Gaeumannomyces amomi.
2010 Apr
Metabolomic, transcriptional, hormonal, and signaling cross-talk in superroot2.
2010 Jan
Arabidopsis auxin mutants are compromised in systemic acquired resistance and exhibit aberrant accumulation of various indolic compounds.
2010 Mar
New cardenolides from the stem bark of Trewia nudiflora.
2010 Sep
Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 19:37:14 GMT 2023
Edited
by admin
on Fri Dec 15 19:37:14 GMT 2023
Record UNII
59711R38B0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
INDOLE-3-CARBOXYLIC ACID
Systematic Name English
3-INDOLYLCARBOXYLIC ACID
Systematic Name English
3-CARBOXYINDOLE
Systematic Name English
TROPISETRON HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
.BETA.-INDOLYLCARBOXYLIC ACID
Common Name English
3-INDOLEFORMIC ACID
Systematic Name English
1H-INDOLE-3-CARBOXYLIC ACID
Systematic Name English
INDOLE-.BETA.-CARBOXYLIC ACID
Common Name English
Code System Code Type Description
CAS
771-50-6
Created by admin on Fri Dec 15 19:37:14 GMT 2023 , Edited by admin on Fri Dec 15 19:37:14 GMT 2023
PRIMARY
EPA CompTox
DTXSID50227886
Created by admin on Fri Dec 15 19:37:14 GMT 2023 , Edited by admin on Fri Dec 15 19:37:14 GMT 2023
PRIMARY
PUBCHEM
69867
Created by admin on Fri Dec 15 19:37:14 GMT 2023 , Edited by admin on Fri Dec 15 19:37:14 GMT 2023
PRIMARY
CHEBI
24809
Created by admin on Fri Dec 15 19:37:14 GMT 2023 , Edited by admin on Fri Dec 15 19:37:14 GMT 2023
PRIMARY
ECHA (EC/EINECS)
212-231-6
Created by admin on Fri Dec 15 19:37:14 GMT 2023 , Edited by admin on Fri Dec 15 19:37:14 GMT 2023
PRIMARY
FDA UNII
59711R38B0
Created by admin on Fri Dec 15 19:37:14 GMT 2023 , Edited by admin on Fri Dec 15 19:37:14 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP