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(Q82928605)
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English
1-Cyclohexene-1-carboxylic acid, 5-((1-carboxyethenyl)oxy)-4-hydroxy-3-(phosphonooxy)-
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
324.024633246
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₃O₁₀P
0 references
canonical SMILES
O=C(O)C(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O)=C
0 references
found in taxon
Escherichia coli
1 reference
stated in
A comprehensive genome-scale reconstruction of Escherichia coli metabolism--2011.
Identifiers
InChI
InChI=1S/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)
0 references
InChIKey
QUTYKIXIUDQOLK-UHFFFAOYSA-N
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CAS Registry Number
27840-48-8
0 references
PubChem CID
82
2 references
stated in
PubChem
retrieved
3 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QUTYKIXIUDQOLK-UHFFFAOYSA-N
UniChem compound ID
63583526
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20950513
1 reference
matched by identifier from
InChIKey
InChIKey
QUTYKIXIUDQOLK-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00964032
0 references
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