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CHEBI:57688 - S-formylglutathionate(1−)

ChEBI IDCHEBI:57688
ChEBI NameS-formylglutathionate(1−)
Stars
ASCII NameS-formylglutathionate(1-)
DefinitionThe conjugate base of S-formylglutathione having anionic carboxy groups and a protonated primary amino group.
Last Modified21 November 2024
DownloadsMolfile
FormulaC11H16N3O7S
Net Charge-1
Average Mass334.330
Monoisotopic Mass334.07144
SMILES[NH3+][C@@H](CCC(=O)N[C@@H](CSC=O)C(=O)NCC(=O)[O-])C(=O)[O-]
InChIInChI=1S/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)/p-1/t6-,7-/m0/s1
InChIKeyFHXAGOICBFGEBF-BQBZGAKWSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
S-formylglutathionate(1−) (CHEBI:57688) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
S-formylglutathionate(1−) (CHEBI:57688) has role human metabolite (CHEBI:77746)
S-formylglutathionate(1−) (CHEBI:57688) is a S-acylglutathionate(1−) (CHEBI:60058)
S-formylglutathionate(1−) (CHEBI:57688) is a peptide anion (CHEBI:60334)
S-formylglutathionate(1−) (CHEBI:57688) is conjugate base of S-formylglutathione (CHEBI:16225)
Incoming Relation(s)
S-formylglutathione (CHEBI:16225) is conjugate acid of S-formylglutathionate(1−) (CHEBI:57688)
IUPAC Name 
(2S)-2-azaniumyl-5-{[(2R)-1-[(carboxylatomethyl)amino]-3-(formylsulfanyl)-1-oxopropan-2-yl]amino}-5-oxopentanoate
UniProt Name  Source
S-formylglutathioneUniProt