85G

N-ethyl-L-glutamine

Created:	2017-01-05
Last modified:	2024-09-27

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1 entries where 85G is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	25
Aromatic Bond Count	0

2D diagram of 85G

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Chemical Component Summary
Name	N-ethyl-L-glutamine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-5-(ethylamino)-5-oxidanylidene-pentanoic acid
Formula	C₇ H₁₄ N₂ O₃
Molecular Weight	174.198
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(C(O)=O)CCC(NCC)=O
SMILES	CACTVS	3.385	CCNC(=O)CC[CH](N)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	CCNC(=O)CCC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	CCNC(=O)CC[C@H](N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCNC(=O)CC[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChIKey	InChI	1.03	DATAGRPVKZEWHA-YFKPBYRVSA-N

Drug Info: DrugBank

DrugBank ID	DB12444
Name	Theanine
Groups	investigational
Description	Theanine, a precursor of ethylamine, is found in green tea. It is under investigation in clinical trial NCT00291070 (Effects of L-Theanine in Boys With ADHD).
Synonyms	N5-ethyl-L-glutamine L-theanine Theanin Suntheanine N(5)-ethyl-L-glutamine N-ethyl-L-glutamine Theanine
Brand Names	Hypnosom Patch
Categories	Amino Acids Amino Acids, Acidic Amino Acids, Dicarboxylic Amino Acids, Peptides, and Proteins
CAS number	3081-61-6

Related Resource References

Resource Name	Reference
PubChem	439378, 25201220
ChEMBL	CHEMBL3039113
ChEBI	CHEBI:58128, CHEBI:17394

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.