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(Q115966209)
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English
2-[3-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]propanoylamino]-3-sulfanylpropanoic acid
group of stereoisomers with the chemical formula C₁₂H₂₂N₂O₆S
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
322.119857424
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₂N₂O₆S
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canonical SMILES
O=C(O)C(NC(=O)CCNC(=O)C(O)C(C)(C)CO)CS
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found in taxon
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)
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InChIKey
QSYCTARXWYLMOF-UHFFFAOYSA-N
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PubChem CID
3332065
1 reference
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
UniChem compound ID
60589028
1 reference
stated in
UniChem
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