Systematic / IUPAC Name: 3-(1H-Indol-3-yl)-2-oxopropanoic acid
ID: Reference448
Other Names:
Indole-3-pyruvic acid;
Indole-3-pyruvate;
3-Indolepyruvic acid;
Indolepyruvic acid;
Indolyl-3-pyruvate
; more
Formula: C11H9NO3
Class: Endogenous Metabolites
Indole-3-pyruvic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Used Instruments | Orbitrap Elite |
No. of Spectral Trees | 2 |
No. of Spectra | 410 |
Tandem Spectra | MS1, MS2, MS3, MS4 |
Ionization Methods | ESI |
Analyzers | FT |
Last Modification | 1/21/2015 9:15:43 AM |
InChI | InChI=1S/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15) |
InChI Key | RSTKLPZEZYGQPY-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C2C(=C1)C(=CN2)CC(=O)C(=O)O |
CAS | 392121 |
Splash | |
Other Names |
Indole-3-pyruvic acid; Indole-3-pyruvate; 3-Indolepyruvic acid; Indolepyruvic acid; Indolyl-3-pyruvate; (Indol-3-yl)pyruvate; β-Indolepyruvic acid; β-Indolylpyruvic acid; α-Oxo-1H-indole-3-propanoic acid; 3-(Indol-3-yl)pyruvate; 1H-Indole-3-propanoic acid, α-oxo-; (Indol-3-yl)pyruvic acid; 3-(Indol-3-yl)pyruvic acid; 3-Indol-3-yl-2-oxopropanoic acid; Indol-3-ylpyruvic acid |
PubChem | 803 |
HMDb | HMDB60484 |
ChemSpider | 781 |
ChEMBL | CHEMBL485012 |
ChEBI | CHEBI:29750 |
ChemIDPlus | 000392121 |
KEGG | C00331 |