CHEBI:222793 - Epothilone C8

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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 C8
ChEBI ID CHEBI:222793
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H37NO5S
Net Charge 0
Average Mass 463.630
Monoisotopic Mass 463.23924
InChI InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-20(13-12-19-15-32-18(3)26-19)31-22(28)14-21(27)25(4,5)24(30)17(2)23(16)29/h7,9,12-13,15-17,20-21,23,27,29H,6,8,10-11,14H2,1-5H3/b9-7-,13-12+/t16?,17-,20+,21+,23+/m1/s1
InChIKey SZLNOQJINZWMEH-LDULZZTDSA-N
SMILES S1C(=NC(=C1)/C=C/[C@H]2OC(=O)C[C@H](O)C(C(=O)[C@@H]([C@@H](O)C(CCCC=CC2)C)C)(C)C)C
Metabolite of Species Details
Sorangium cellulosum (NCBI:txid56) See: PubMed
ChEBI Ontology
Outgoing Epothilone C8 (CHEBI:222793) is a macrolide (CHEBI:25106)
IUPAC Name
(4S,7R,8S,13Z,16S)-4,8-dihydroxy-5,5,7,9-tetramethyl-16-[(E)-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-1-oxacyclohexadec-13-ene-2,6-dione
Manual Xref Database
78436199 ChemSpider
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