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2-glutathionyl-2-methylbut-3-enoate

Properties

Image

Occurences in reactions

MNX_ID

MNXM162492

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₁₅H₂₁N₃O₈S

charge

-2

mass

403.10603

reference

chebi:131797

InChIKey

GPWMCZLMCJWORL-KZGJKODISA-L

InChI

InChI=1S/C15H23N3O8S/c1-3-15(2,14(25)26)27-7-9(12(22)17-6-11(20)21)18-10(19)5-4-8(16)13(23)24/h3,8-9H,1,4-7,16H2,2H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H,25,26)/p-2/t8-,9-,15?/m0/s1

SMILES

C=CC(C)(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131797 chebi:131797	2-glutathionyl-2-methylbut-3-enoate (2S)-2-azaniumyl-5-({(2R)-3-[(2-carboxylatobut-3-en-2-yl)sulfanyl]-1-[(carboxylatomethyl)amino]-1-oxopropan-2-yl}amino)-5-oxopentanoate S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2-)
metacyc.compound:CPD-19032 metacycM:CPD-19032 seed.compound:cpd33738 seedM:cpd33738	2-(glutathion-S-yl)-2-methylbut-3-enoate 2-glutathionyl-2-methylbut-3-enoate
CHEBI:132118 chebi:132118	S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione 2-glutathionyl-2-methylbut-3-enoic acid L-gamma-glutamyl-S-(2-carboxybut-3-en-2-yl)-L-cysteinylglycine
seedM:M_cpd33738	secondary/obsolete/fantasy identifier