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(Q76792009)
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English
(2R,3R,5R,6R)-5-acetamido-2,3-difluoro-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
313.09730832400004
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₇F₂NO₇
0 references
canonical SMILES
CC(=O)NC1CC(C(OC1C(C(CO)O)O)(C(=O)O)F)F
1 reference
stated in
RCSB protein data bank
PDB ligand ID
9SG
language of work or name
English
retrieved
16 February 2021
isomeric SMILES
CC(=O)N[C@@H]1C[C@H]([C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)F)F
0 references
Identifiers
InChI
InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
0 references
InChIKey
AHSNGFVNAWRJGS-WNBQUBFESA-N
0 references
PubChem CID
71726233
1 reference
matched by identifier from
InChIKey
InChIKey
AHSNGFVNAWRJGS-WNBQUBFESA-N
UniChem compound ID
62003040
1 reference
stated in
UniChem
Probes And Drugs ID
PD137818
0 references
PDB ligand ID
9SG
0 references
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