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(Q111729029)
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English
2-[3-[(2-Hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoylamino]-3-sulfanylpropanoic acid
group of stereoisomers with the chemical formula C₁₂H₂₃N₂O₉PS
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
402.086187946
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₂₃N₂O₉PS
0 references
canonical SMILES
O=C(O)C(NC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)CS
0 references
found in taxon
Escherichia coli
1 reference
stated in
A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.
Homo sapiens
1 reference
stated in
A community-driven global reconstruction of human metabolism.
Identifiers
InChI
InChI=1S/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)
0 references
InChIKey
XQYALQVLCNHCFT-UHFFFAOYSA-N
0 references
PubChem CID
132
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XQYALQVLCNHCFT-UHFFFAOYSA-N
UniChem compound ID
64188584
1 reference
stated in
UniChem
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