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(Q82854194)
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English
1-O-{[1-(1-Benzothiophen-2-yl)ethyl](carbamoyl)amino}-beta-D-glucopyranuronic acid
group of stereoisomers with the chemical formula C₁₇H₂₀N₂O₈S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
412.0940365999999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₀N₂O₈S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(c1cc2ccccc2s1)N(OC1OC(C(=O)O)C(O)C(O)C1O)C(=N)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(c1cc2ccccc2s1)N(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)C(N)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C17H20N2O8S/c1-7(10-6-8-4-2-3-5-9(8)28-10)19(17(18)25)27-16-13(22)11(20)12(21)14(26-16)15(23)24/h2-7,11-14,16,20-22H,1H3,(H2,18,25)(H,23,24)/t7?,11-,12-,13+,14-,16-/m0/s1
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InChIKey
CYYKQHWQVGZJRJ-UPZRFPAJSA-N
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CAS Registry Number
141056-63-5
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PubChem CID
71752997
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
185346
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
69938891
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70858570
0 references
DSSTOX compound identifier
DTXCID80809311
0 references
Human Metabolome Database ID
HMDB0060914
1 reference
based on heuristic
inferred from InChIKey
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