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(Q104979356)
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English
(E,2S,3R,5R)-3,5-dihydroxy-2,6-dimethyl-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-2,6-dimethyl-7-(2-methyl-1,3-thiazol-4-yl)hept-6-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
285.103479088
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₉NO₄S
0 references
canonical SMILES
O=C(O)C(C)C(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)[C@H](C)C(=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/C13H19NO4S/c1-7(4-10-6-19-9(3)14-10)11(15)5-12(16)8(2)13(17)18/h4,6,8,11-12,15-16H,5H2,1-3H3,(H,17,18)/b7-4+/t8-,11+,12+/m0/s1
0 references
InChIKey
DGVOKXGUGFTLRK-GLTMFUSYSA-N
0 references
PubChem CID
163190922
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
DGVOKXGUGFTLRK-GLTMFUSYSA-N
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