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Chemistry, part 2

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Concept information

organooxygen compound > polyketide > macrolide > epothilone c3
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone c3
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone c3
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone c3
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone c3
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > epothilone c3
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone c3
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone c3
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone c3
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone c3
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > macrocycle > macrocyclic lactone > macrolide > epothilone c3

Preferred term

epothilone c3  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C25H37NO5S

inchi

  • InChI=1S/C25H37NO5S/c1-16-10-8-6-7-9-11-21(17(2)12-19-15-32-18(3)26-19)31-24(30)14-23(29)25(4,5)22(28)13-20(16)27/h7,9,12,15-16,20-21,23,27,29H,6,8,10-11,13-14H2,1-5H3/b9-7-,17-12+/t16-,20+,21-,23-/m0/s1

inchikey

  • UBEGTFAXEAHJDQ-DZNFWXJJSA-N

mass

  • 463.630

monoisotopicmass

  • 463.23924

smiles

  • S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](O)C(C(=O)C[C@@H](O)[C@H](CCCC=CC2)C)(C)C)/C)C

subset

  • 2_STAR

synonym EXACT

  • (4S,8R,9S,13Z,16S)-4,8-dihydroxy-5,5,9-trimethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203777

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