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CHEBI:180597 - L-alpha-Glutamyl-L-cysteinylglycine Glutathione

ChEBI IDCHEBI:180597
ChEBI NameL-alpha-Glutamyl-L-cysteinylglycine Glutathione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32N6O12S2
Net Charge0
Average Mass612.640
Monoisotopic Mass612.15196
SMILESN[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C20H32N6O12S2/c21-9(2-4-14(28)29)17(34)26-12(19(36)24-6-16(32)33)8-40-39-7-11(18(35)23-5-15(30)31)25-13(27)3-1-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,35)(H,24,36)(H,25,27)(H,26,34)(H,28,29)(H,30,31)(H,32,33)(H,37,38)/t9-,10-,11-,12-/m0/s1
InChIKeyJRBLIKMXDVZVGD-BJDJZHNGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) pancreas (BTO:0000988) MetaboLights (MTBLS1925) Strain: PANC-1 cell [BCGO:0000122]
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
L-alpha-Glutamyl-L-cysteinylglycine Glutathione (CHEBI:180597) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-amino-5-[[(2R)-3-[[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]disulanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
48063102ChemSpider