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Concept information

Preferred term

اپوتیلون A  

Type

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

alt_id

  • CHEBI:252957
  • CHEBI:42387

charge

  • 0

formula

  • C26H39NO6S

inchi

  • InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1

inchikey

  • HESCAJZNRMSMJG-KKQRBIROSA-N

mass

  • 493.658

monoisotopicmass

  • 493.24981

smiles

  • C1[C@](OC(C[C@@H](C(C([C@@H]([C@H]([C@H](CCC[C@@]2([C@]1(O2)[H])[H])C)O)C)=O)(C)C)O)=O)(/C(=C/C=3N=C(SC3)C)/C)[H]

subset

  • 3_STAR

synonym EXACT

  • (1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
  • epothilone A
  • Epothilone A
  • EPOTHILONE A

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:31549

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