CHEBI:204055 - Epothilone B10

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Epothilone B10
ChEBI ID CHEBI:204055
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H43NO6S
Net Charge 0
Average Mass 521.710
Monoisotopic Mass 521.28111
InChI InChI=1S/C28H43NO6S/c1-8-23-29-19(15-36-23)12-17(3)20-13-22-28(7,35-22)11-9-10-16(2)25(32)18(4)26(33)27(5,6)21(30)14-24(31)34-20/h12,15-16,18,20-22,25,30,32H,8-11,13-14H2,1-7H3/b17-12+/t16-,18+,20-,21-,22-,25-,28+/m0/s1
InChIKey FBHLXXMDOGRQOQ-GPTRSRDWSA-N
SMILES S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCC[C@@]3([C@H](C2)O3)C)C)C)(C)C)\C)CC
Metabolite of Species Details
Sorangium cellulosum (NCBI:txid56) See: PubMed
Roles Classification
Biological Role(s): bacterial metabolite
Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
(via epothilone )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Epothilone B10 (CHEBI:204055) is a epothilone (CHEBI:60831)
IUPAC Name
(1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-(2-ethyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Manual Xref Database
8047086 ChemSpider
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