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2-glutathionyl-2-methylbut-3-enal

Properties

Image

Occurences in reactions

MNX_ID

MNXM162518

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

formula

C₁₅H₂₂N₃O₇S

charge

-1

mass

388.11839

reference

chebi:131798

InChIKey

KTSZDHMDBQVCIB-WUAMPTBBSA-M

InChI

InChI=1S/C15H23N3O7S/c1-3-15(2,8-19)26-7-10(13(23)17-6-12(21)22)18-11(20)5-4-9(16)14(24)25/h3,8-10H,1,4-7,16H2,2H3,(H,17,23)(H,18,20)(H,21,22)(H,24,25)/p-1/t9-,10-,15?/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:131798 chebi:131798	2-glutathionyl-2-methylbut-3-enal (2S)-2-azaniumyl-5-({(2R)-1-[(carboxylatomethyl)amino]-3-[(2-methyl-1-oxobut-3-en-2-yl)sulfanyl]-1-oxopropan-2-yl}amino)-5-oxopentanoate S-(2-formyl-2-methylbut-3-en-2-yl)glutathione(1-) S-(2-methyl-1-oxobut-3-en-2-yl)glutathione(1-)
metacyc.compound:CPD-19031 metacycM:CPD-19031 seed.compound:cpd33597 seedM:cpd33597	2-(glutathion-S-yl)-2-methylbut-3-enal 2-glutathionyl-2-methylbut-3-enal
CHEBI:132122 chebi:132122	S-(2-methyl-1-oxobut-3-en-2-yl)glutathione 2-glutathionyl-2-methylbut-3-enal L-gamma-glutamyl-S-(2-methyl-1-oxobut-3-en-2-yl)-L-cysteinylglycine S-(2-formyl-2-methylbut-3-en-2-yl)glutathione
seedM:M_cpd33597	secondary/obsolete/fantasy identifier