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CHEBI:132118 - S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione

Default Structure
ChEBI IDCHEBI:132118
ChEBI NameS-(2-carboxy-2-methylbut-3-en-2-yl)glutathione
Stars
ASCII NameS-(2-carboxy-2-methylbut-3-en-2-yl)glutathione
DefinitionA glutathione derivative in which the thiol hydrogen of glutathione is replaced by a 2-carboxy-2-methylbut-3-en-2-yl group.
Last Modified2 June 2016
SubmitterSteve
DownloadsMolfile
FormulaC15H23N3O8S
Net Charge0
Average Mass405.429
Monoisotopic Mass405.12059
SMILESC=CC(C)(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=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)/t8-,9-,15?/m0/s1
InChIKeyGPWMCZLMCJWORL-KZGJKODISA-N
ChEBI Ontology
Outgoing Relation(s)
S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione (CHEBI:132118) is a glutathione derivative (CHEBI:24337)
S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione (CHEBI:132118) is conjugate acid of S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2−) (CHEBI:131797)
Incoming Relation(s)
S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione(2−) (CHEBI:131797) is conjugate base of S-(2-carboxy-2-methylbut-3-en-2-yl)glutathione (CHEBI:132118)
IUPAC Name 
L-γ-glutamyl-S-(2-carboxybut-3-en-2-yl)-L-cysteinylglycine
Synonym  Source
2-glutathionyl-2-methylbut-3-enoic acidChEBI
Manual XrefsDatabases
CPD-19032MetaCyc
Citations