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L-Glutamine-N{2} - ≥10 atom% 15N,≥98.5%, high purity , CAS No.204451-48-9
Basic Description
Specifications & Purity
≥10 atom% 15N,≥98.5%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Amino acids, peptides, and analogues
Intermediate Tree Nodes
Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent
Glutamine and derivatives
Alternative Parents
L-alpha-amino acids Fatty amides Fatty acids and conjugates Primary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aliphatic acyclic compounds
Substituents
Glutamine or derivatives - Alpha-amino acid - L-alpha-amino acid - Fatty amide - Fatty acyl - Fatty acid - Carboxamide group - Amino acid - Primary carboxylic acid amide - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary amine - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
(2S)-2,5-bis(15N)(azanyl)-5-oxopentanoic acid
INCHI
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i6+1,7+1
InChIKey
ZDXPYRJPNDTMRX-QLUYOLLXSA-N
Smiles
C(CC(=O)N)C(C(=O)O)N
Isomeric SMILES
C(CC(=O)[15NH2])[C@@H](C(=O)O)[15NH2]
PubChem CID
16213341
Molecular Weight
148.13
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
148.130 g/mol
XLogP3
-3.100
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
4
Exact Mass
148.063 Da
Monoisotopic Mass
148.063 Da
Topological Polar Surface Area
106.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
146.000
Isotope Atom Count
2
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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