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English
Asparenomycin B
group of stereoisomers with the chemical formula C₁₄H₁₈N₂O₆S
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Statements
instance of
group of stereoisomers
0 references
subclass of
carbapenem biomolecule
1 reference
inferred from
carbapenem biomolecule
mass
342.088557296
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈N₂O₆S
0 references
canonical SMILES
CC(=O)NCC[S+]([O-])C1=C(C(=O)O)N2C(=O)C(=C(C)CO)C2C1
0 references
isomeric SMILES
CC(=O)NCCS(=O)C1=C(C(=O)O)N2C(=O)/C(=C(\C)CO)C2C1
1 reference
based on heuristic
inferred from InChI
found in taxon
Streptomyces
1 reference
stated in
Asparenomycins A, B and C, new carbapenem antibiotics. III. Structures
Identifiers
InChI
InChI=1S/C14H18N2O6S/c1-7(6-17)11-9-5-10(23(22)4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h9,17H,3-6H2,1-2H3,(H,15,18)(H,20,21)/b11-7+
0 references
InChIKey
IATDYGCCUJUVGA-YRNVUSSQSA-N
0 references
PubChem CID
10067324
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IATDYGCCUJUVGA-YRNVUSSQSA-N
ChEBI ID
223362
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H18N2O6S/c1-7(6-17)11-9-5-10(23(22)4-3-15-8(2)18)12(14(20)21)16(9)13(11)19/h9,17H,3-6H2,1-2H3,(H,15,18)(H,20,21)/b11-7+
UniChem compound ID
64576653
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA021010
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IATDYGCCUJUVGA-YRNVUSSQSA-N
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