N-Acetyl-1-aspartylglutamic acid

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Systematic / IUPAC Name: 2-[(2-Acetamido-3-carboxypropanoyl)amino]pentanedioic acid

ID: Reference505

Other Names: 2-(3-Carboxy-2-acetamidopropanamido)pentanedioic acid;
N-Acetyl-Asp-Glu;
Spaglumic acid;
N-Acetylaspartylglutamic acid;
N-(N-Acetylaspartyl)glutamic acid

Formula: C11H16N2O8

Class: Endogenous Metabolites

Spectral Data

N-Acetyl-1-aspartylglutamic 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 444
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI
Analyzers FT
Last Modification 1/29/2015 9:06:38 AM
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Identificators

InChI InChI=1S/C11H16N2O8/c1-5(14)12-7(4-9(17)18)10(19)13-6(11(20)21)2-3-8(15)16/h6-7H,2-4H2,1H3,(H,12,14)(H,13,19)(H,15,16)(H,17,18)(H,20,21)
InChI Key OPVPGKGADVGKTG-UHFFFAOYSA-N
Canonical SMILES CC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)O
CAS 3106852
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Other Names 2-(3-Carboxy-2-acetamidopropanamido)pentanedioic acid;
N-Acetyl-Asp-Glu;
Spaglumic acid;
N-Acetylaspartylglutamic acid;
N-(N-Acetylaspartyl)glutamic acid;
N-Acetyl-α-aspartylglutamic acid

In Other Databases

PubChem 5255
ChemSpider 5065; 21238199
ChEMBL CHEMBL64966
KEGG C12270
HMDb HMDB01067
Wikipedia N-Acetylaspartylglutamic acid