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Pyroglu-tyr

Properties Image MNX_ID MNXM1377499 reference chebi:191161 formula C14H16N2O5 global charge 0 mol weight 292.291 InChIKey ILJOYLTXYCZXTB-UHFFFAOYSA-N InChI InChI=1S/C14H16N2O5/c17-9-3-1-8(2-4-9)7-11(14(20)21)16-13(19)10-5-6-12(18)15-10/h1-4,10-11,17H,5-7H2,(H,15,18)(H,16,19)(H,20,21) SMILES O=C1CCC(C(=O)NC(Cc2ccc(O)cc2)C(=O)O)N1 MNX internals InChI (mnx) InChI=1/C14H16N2O5/c17-9-3-1-8(2-4-9)7-11(14(20)21)16-13(19)10-5-6-12(18)15-10/h1-4,10-11,17H,5-7H2,(H,15,18)(H,16,19)(H,20,21)/t10?,11? SMILES (mnx) [CH2:1]=[C:11]([CH2:7][CH:12]([CH2:14][N:15]1=[O:17][O:19]=[O:21]([CH3:5])[O:20]=[O:18]1)[N:16]([CH3:3])=[CH2:4])[CH:8]1[CH2:6][C:13](=[CH2:2])[CH2:10][CH2:9]1

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:191161 chebi:191161 ILJOYLTXYCZXTB-UHFFFAOYSA-N	Pyroglu-tyr 3-(4-hydroxyphenyl)-2-[(5-oxopyrrolidine-2-carbonyl)amino]propanoic acid