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(Q105261645)
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English
(E,3S,5R)-3,5-dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3,5-Dihydroxy-6-methyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
271.087829024
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₇NO₄S
0 references
canonical SMILES
O=C(O)CC(O)CC(O)C(=CC=1N=C(SC1)C)C
0 references
isomeric SMILES
C/C(=C\c1csc(C)n1)[C@H](O)C[C@H](O)CC(=O)O
0 references
found in taxon
Sorangium cellulosum
1 reference
stated in
New natural epothilones from Sorangium cellulosum, strains So ce90/B2 and So ce90/D13: isolation, structure elucidation, and SAR studies
Identifiers
InChI
InChI=1S/C12H17NO4S/c1-7(3-9-6-18-8(2)13-9)11(15)4-10(14)5-12(16)17/h3,6,10-11,14-15H,4-5H2,1-2H3,(H,16,17)/b7-3+/t10-,11+/m0/s1
0 references
InChIKey
SUXRZNCKCABHKR-RYBICEQDSA-N
0 references
PubChem CID
163188305
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SUXRZNCKCABHKR-RYBICEQDSA-N
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