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(Q77424117)
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English
4-Desmethyl-9-keto-epothilone C
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
477.21850884
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₃₅NO₆S
0 references
canonical SMILES
O=C1OC(C(=CC=2N=C(SC2)C)C)CC=CCCC(=O)C(C)C(O)C(C(=O)C(C)C(O)C1)C
0 references
isomeric SMILES
C/C(=C\c1csc(C)n1)C1C/C=C\CCC(=O)[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)[C@@H](O)CC(=O)O1
0 references
found in taxon
Myxococcus xanthus
1 reference
stated in
Isolation and Characterization of New Epothilone Analogues from Recombinant Myxococcus xanthus Fermentations
Identifiers
InChI
InChI=1S/C25H35NO6S/c1-14(11-19-13-33-18(5)26-19)22-10-8-6-7-9-20(27)15(2)24(30)17(4)25(31)16(3)21(28)12-23(29)32-22/h6,8,11,13,15-17,21-22,24,28,30H,7,9-10,12H2,1-5H3/b8-6-,14-11+/t15-,16?,17+,21-,22?,24-/m0/s1
0 references
InChIKey
BHSWIEMRHAMRPG-PAQRNUOGSA-N
2 references
stated in
PubChem
PubChem CID
139585508
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
139585508
language of work or name
English
PubChem CID
139585508
2 references
stated in
PubChem
PubChem CID
139585508
language of work or name
English
matched by identifier from
InChIKey
InChIKey
BHSWIEMRHAMRPG-PAQRNUOGSA-N
ChEBI ID
205381
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C25H35NO6S/c1-14(11-19-13-33-18(5)26-19)22-10-8-6-7-9-20(27)15(2)24(30)17(4)25(31)16(3)21(28)12-23(29)32-22/h6,8,11,13,15-17,21-22,24,28,30H,7,9-10,12H2,1-5H3/b8-6-,14-11+/t15-,16?,17+,21-,22?,24-/m0/s1
UniChem compound ID
170908862
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA008628
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
BHSWIEMRHAMRPG-PAQRNUOGSA-N
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