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(Q77278404)
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English
Epothilone C9
bioactive natural product
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Statements
instance of
group of stereoisomers
0 references
subclass of
macrolides
0 references
thiazole alkaloid
0 references
mass
493.249808968
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₆H₃₉NO₆S
0 references
canonical SMILES
O=C1OC(C(=CC=2N=C(SC2)C)CO)CC=CCCCC(C)C(O)C(C(=O)C(C)(C)C(O)C1)C
0 references
isomeric SMILES
Cc1nc(/C=C(\CO)[C@@H]2C/C=C\CCCC(C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O2)cs1
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/C26H39NO6S/c1-16-10-8-6-7-9-11-21(19(14-28)12-20-15-34-18(3)27-20)33-23(30)13-22(29)26(4,5)25(32)17(2)24(16)31/h7,9,12,15-17,21-22,24,28-29,31H,6,8,10-11,13-14H2,1-5H3/b9-7-,19-12+/t16?,17-,21+,22+,24+/m1/s1
0 references
InChIKey
RPXWIALRKLAACL-XLTXCLDISA-N
2 references
stated in
PubChem
PubChem CID
139584003
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139584003
language of work or name
English
PubChem CID
139584003
2 references
stated in
PubChem
PubChem CID
139584003
language of work or name
English
matched by identifier from
InChIKey
InChIKey
RPXWIALRKLAACL-XLTXCLDISA-N
ChEBI ID
200353
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C26H39NO6S/c1-16-10-8-6-7-9-11-21(19(14-28)12-20-15-34-18(3)27-20)33-23(30)13-22(29)26(4,5)25(32)17(2)24(16)31/h7,9,12,15-17,21-22,24,28-29,31H,6,8,10-11,13-14H2,1-5H3/b9-7-,19-12+/t16?,17-,21+,22+,24+/m1/s1
UniChem compound ID
170907533
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA003252
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RPXWIALRKLAACL-XLTXCLDISA-N
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