MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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N(5)-ethyl-L-glutamine

	Properties	Image
MNX_ID	MNXM2257
reference	chebi:58128
formula	C₇H₁₄N₂O₃
global charge	0
mol weight	174.2
InChIKey	DATAGRPVKZEWHA-YFKPBYRVSA-N
InChI	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
SMILES	CCNC(=O)CC[C@H]([NH3+])C(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/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
SMILES (mnx)	[CH3:1][CH2:2][N:9]=[C:6]([CH2:4][CH2:3][C@@H:5]([C:7](=[O:11])[OH:12])[NH2:8])[OH:10]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58128 chebi:58128 DATAGRPVKZEWHA-YFKPBYRVSA-N	N(5)-ethyl-L-glutamine (2S)-2-azaniumyl-5-(ethylamino)-5-oxopentanoate N(5)-ethyl-L-glutamine zwitterion theanine theanine zwitterion
hmdb:HMDB0034365 DATAGRPVKZEWHA-YFKPBYRVSA-N	L-Theanine (+)-Theanine (2S)-2-amino-4-(ethylcarbamoyl)butanoic acid L-Glutamic acid-gamma-ethylamide L-gamma-Glutamylethylamide L-gamma-glutamylethylamide N(5)-Ethyl-L-glutamine N-gamma-Ethyl-L-glutamine N-gamma-ethyl-L-glutamine N5-Ethyl-L-glutamine Ngamma-ethyl-L-glutamine Suntheanine Theanin Theanine Theanine, (D)-isomer Theanine, (DL)-isomer Theanine, (L)-isomer delta-Glutamylethylamide gamma-Glutamylethylamide theanine
seed.compound:cpd00772 seedM:cpd00772 DATAGRPVKZEWHA-YFKPBYRVSA-N	L-Theanine N5-Ethyl-L-glutamine N5-ethyl-L-glutamine N5-ethylglutamine gamma-glutamyl-ethylamide gamma-glutamylethylamide theanine
CHEBI:17394 chebi:17394 DATAGRPVKZEWHA-YFKPBYRVSA-N	N(5)-ethyl-L-glutamine (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid L-Theanine L-theanine N5-Ethyl-L-glutamine
sabiork.compound:2228 sabiorkM:2228 DATAGRPVKZEWHA-YFKPBYRVSA-N	N5-Ethyl-L-glutamine
kegg.compound:C01047 keggC:C01047 DATAGRPVKZEWHA-YFKPBYRVSA-N	N5-Ethyl-L-glutamine L-Theanine
metacyc.compound:CPD-9384 metacycM:CPD-9384 DATAGRPVKZEWHA-YFKPBYRVSA-N	gamma-glutamyl-ethylamide N5-ethyl-L-glutamine N5-ethylglutamine gamma-glutamylethylamide theanine
hmdb:HMDB0062764 hmdb:HMDB34365 hmdb:HMDB62764 chebi:12651 chebi:21845 chebi:7397 keggC:M_C01047 seedM:M_cpd00772	secondary/obsolete/fantasy identifier