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

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Ile-Glu

	Properties	Image
MNX_ID	MNXM126865
reference	chebi:137259
formula	C₁₁H₂₀N₂O₅
global charge	0
mol weight	260.29
InChIKey	KTGFOCFYOZQVRJ-ZKWXMUAHSA-N
InChI	InChI=1S/C11H20N2O5/c1-3-6(2)9(12)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t6-,7-,9-/m0/s1
SMILES	CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O

MNX internals

InChI (mnx)	InChI=1/C11H20N2O5/c1-3-6(2)9(12)10(16)13-7(11(17)18)4-5-8(14)15/h6-7,9H,3-5,12H2,1-2H3,(H,13,16)(H,14,15)(H,17,18)/t6-,7-,9-/m0/s1
SMILES (mnx)	[CH3:1][CH2:3][C@H:6]([CH3:2])[C@@H:9]([C:10](=[N:13][C@@H:7]([CH2:4][CH2:5][C:8](=[O:14])[OH:15])[C:11](=[O:17])[OH:18])[OH:16])[NH2:12]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:137259 chebi:137259 KTGFOCFYOZQVRJ-ZKWXMUAHSA-N	Ile-Glu I-E IE L-isoleucyl-L-glutamic acid
seed.compound:cpd36048 seedM:cpd36048 KTGFOCFYOZQVRJ-ZKWXMUAHSA-M	Ile-Glu L-isoleucyl-L-glutamate
hmdb:HMDB0028906 KTGFOCFYOZQVRJ-UHFFFAOYSA-N	Isoleucyl-Glutamate 2-(2-amino-3-methylpentanamido)pentanedioic acid 2-[(2-Amino-1-hydroxy-3-methylpentylidene)amino]pentanedioate I-e dipeptide IE dipeptide Ile-glu Isoleucine glutamate dipeptide Isoleucine-glutamate dipeptide Isoleucyl-glutamic acid Isoleucylglutamate L-Isoleucyl-L-glutamate
CHEBI:177254 chebi:177254 KTGFOCFYOZQVRJ-UHFFFAOYSA-N	Isoleucyl-Glutamate 2-[(2-amino-3-methylpentanoyl)amino]pentanedioic acid
metacyc.compound:CPD-20375 metacycM:CPD-20375 KTGFOCFYOZQVRJ-ZKWXMUAHSA-M	L-isoleucyl-L-glutamate Ile-Glu
hmdb:HMDB28906 seedM:M_cpd36048	secondary/obsolete/fantasy identifier