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(Q105171784)
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English
(E,3S)-3-methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-Methoxy-4-methyl-5-(2-methyl-1,3-thiazol-4-yl)pent-4-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
241.07726434
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₅NO₃S
0 references
canonical SMILES
O=C(O)CC(OC)C(=CC=1N=C(SC1)C)C
0 references
isomeric SMILES
CO[C@@H](CC(=O)O)/C(C)=C/c1csc(C)n1
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/C11H15NO3S/c1-7(10(15-3)5-11(13)14)4-9-6-16-8(2)12-9/h4,6,10H,5H2,1-3H3,(H,13,14)/b7-4+/t10-/m0/s1
0 references
InChIKey
MTNLUIZVDKCAMF-QBBOHKLWSA-N
0 references
PubChem CID
162893151
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MTNLUIZVDKCAMF-QBBOHKLWSA-N
ChEBI ID
200442
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H15NO3S/c1-7(10(15-3)5-11(13)14)4-9-6-16-8(2)12-9/h4,6,10H,5H2,1-3H3,(H,13,14)/b7-4+/t10-/m0/s1
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