CHEBI:62448 - indole-3-carboxylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name indole-3-carboxylate
ChEBI ID CHEBI:62448
Definition A monocarboxylic acid anion resulting from the deprotonation of the carboxyl group of indole-3-carboxylic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000000004360
Download Molfile XML SDF
more structures >>
Formula C9H6NO2
Net Charge -1
Average Mass 160.14940
Monoisotopic Mass 160.04040
InChI InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)/p-1
InChIKey KMAKOBLIOCQGJP-UHFFFAOYSA-M
SMILES [O-]C(=O)c1c[nH]c2ccccc12
ChEBI Ontology
Outgoing indole-3-carboxylate (CHEBI:62448) is a monocarboxylic acid anion (CHEBI:35757)
indole-3-carboxylate (CHEBI:62448) is conjugate base of indole-3-carboxylic acid (CHEBI:24809)
Incoming indole-3-carboxylic acid (CHEBI:24809) is conjugate acid of indole-3-carboxylate (CHEBI:62448)
IUPAC Name
1H-indole-3-carboxylate
Synonym Source
indole-3-carboxylate UniProt
Manual Xref Database
CPD-13135 MetaCyc
View more database links
Citation
Last Modified
22 October 2012