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(Q77510910)
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English
Epothilone C
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[1-(2-methyl-1,3-thiazol-4-YL)prop-1-EN-2-YL]-1-oxacyclohexadec-13-ene-2,6-dione
1 reference
based on heuristic
inferred from SMILES
mass
477.254894348
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
epothilone c
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₆H₃₉NO₅S
0 references
canonical SMILES
O=C1OC(C(=CC=2N=C(SC2)C)C)CC=CCCCC(C)C(O)C(C(=O)C(C)(C)C(O)C1)C
0 references
isomeric SMILES
C/C(=C\c1csc(C)n1)[C@@H]1CC=CCCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1
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/C26H39NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8?,17-13+/t16-,18+,21-,22-,24-/m0/s1
0 references
InChIKey
BEFZAMRWPCMWFJ-LVFDDYOBSA-N
2 references
stated in
PubChem
PubChem CID
139586637
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139586637
language of work or name
English
PubChem CID
139586637
2 references
stated in
PubChem
PubChem CID
139586637
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BEFZAMRWPCMWFJ-LVFDDYOBSA-N
UniChem compound ID
170909864
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA012750
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BEFZAMRWPCMWFJ-LVFDDYOBSA-N
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