Term: | epothilone D |
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Accession: | CHEBI:29579
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Definition: | An epithilone that is epithilone C in which the hydrogen at position 13 of the oxacyclohexadec-13-ene-2,6-dione macrocycle has been replaced by a methyl group. |
Synonyms: | exact_synonym: | (4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]oxacyclohexadec-13-ene-2,6-dione |
| related_synonym: | 12,13-deoxyepothilone B; 12,13-desoxyepothilone B; Desoxyepothilone b; Epo D; Formula=C27H41NO5S; InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11+,18-13+/t17-,19+,22-,23-,25-/m0/s1; InChIKey=XOZIUKBZLSUILX-GIQCAXHBSA-N; KOS 862; NSC-703147; SMILES=[H][C@]1(C\\C=C(C)/CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O1)C(\\C)=C\\C1=CSC(C)=N1 |
| alt_id: | CHEBI:42294 |
| xref: | CAS:189453-10-9; DrugBank:DB01873; KEGG:C12039; KNApSAcK:C00028253; LIPID_MAPS_instance:LMPK04000001; PDBeChem:EPD; PMID:10831849; PMID:15242255; PMID:15788167; PMID:15868148; PMID:17618407; PMID:21826439; PMID:22072399; PMID:22423084; PMID:23013328; PMID:23670541; PMID:23994325; PMID:24079664; PMID:24704457; PMID:25151331; PMID:25684676; PMID:26158758; Reaxys:7754058 |
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