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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC BY 3.0, For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:epothilone D
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Accession:CHEBI:29579 term browser browse the term
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that is epithilone C in which the hydrogen at position 13 of the oxacyclohexadec-13-ene-2,6-dione macrocycle has been replaced by a methyl group.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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  CHEBI ontology 19816
    role 19764
      biological role 19764
        pharmacological role 18825
          tubulin modulator 2493
            microtubule-stabilising agent 782
              epothilone D 0
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  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic group 18537
                              organic divalent group 18530
                                organodiyl group 18530
                                  carbonyl group 18436
                                    carbonyl compound 18436
                                      carboxylic ester 14365
                                        lactone 5982
                                          macrocyclic lactone 1733
                                            macrolide 1600
                                              epothilone 5
                                                epothilone D 0
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