Indole-3-pyruvic acid

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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

Spectral Data

Indole-3-pyruvic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

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
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Identificators

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
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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

In Other Databases

PubChem 803
HMDb HMDB60484
ChemSpider 781
ChEMBL CHEMBL485012
ChEBI CHEBI:29750
ChemIDPlus 000392121
KEGG C00331