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(Q105171121)
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English
gamma-Glutamyl-S-methylcysteinyl-beta-alanine
group of stereoisomers with the chemical formula C₁₂H₂₁N₃O₆S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
335.11510639200003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₂₁N₃O₆S
0 references
canonical SMILES
CSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCCC(=O)O
0 references
Identifiers
InChI
InChI=1S/C12H21N3O6S/c1-22-6-8(11(19)14-5-4-10(17)18)15-9(16)3-2-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)
0 references
InChIKey
MSEXKIKRSMQHDG-UHFFFAOYSA-N
0 references
PubChem CID
131752665
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MSEXKIKRSMQHDG-UHFFFAOYSA-N
ChEBI ID
183031
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H21N3O6S/c1-22-6-8(11(19)14-5-4-10(17)18)15-9(16)3-2-7(13)12(20)21/h7-8H,2-6,13H2,1H3,(H,14,19)(H,15,16)(H,17,18)(H,20,21)
UniChem compound ID
32002852
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0039504
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MSEXKIKRSMQHDG-UHFFFAOYSA-N
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