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Concept information

organooxygen compound > polyketide > macrolide > epothilone > epothilone a 3-alpha-d-arabinofuranoside
... > organooxygen compound > ester > carboxylic ester > lactone > macrocyclic lactone > macrolide > epothilone > epothilone a 3-alpha-d-arabinofuranoside
... > organooxygen compound > ester > lactone > macrocyclic lactone > macrolide > epothilone > epothilone a 3-alpha-d-arabinofuranoside
... > organooxygen compound > oxacycle > lactone > macrocyclic lactone > macrolide > epothilone > epothilone a 3-alpha-d-arabinofuranoside
... > organooxygen compound > carbonyl compound > ketone > beta-hydroxy ketone > epothilone > epothilone a 3-alpha-d-arabinofuranoside

Preferred term

epothilone a 3-alpha-d-arabinofuranoside  

Type

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

Broader concept

charge

  • 0

formula

  • C31H47NO10S

inchi

  • InChI=1S/C31H47NO10S/c1-15-8-7-9-20-22(39-20)11-21(16(2)10-19-14-43-18(4)32-19)40-25(34)12-24(31(5,6)29(38)17(3)26(15)35)42-30-28(37)27(36)23(13-33)41-30/h10,14-15,17,20-24,26-28,30,33,35-37H,7-9,11-13H2,1-6H3/b16-10+/t15-,17+,20+,21-,22-,23?,24-,26-,27?,28?,30?/m0/s1

inchikey

  • CZMSBQPHLMPWJG-AXQOFCALSA-N

mass

  • 625.770

monoisotopicmass

  • 625.29207

smiles

  • S1C(=NC(=C1)/C=C(/[C@H]2OC(=O)C[C@H](OC3OC(CO)C(C3O)O)C(C(=O)[C@@H]([C@@H](O)[C@H](CCC[C@@H]4[C@H](C2)O4)C)C)(C)C)/C)C

subset

  • 2_STAR

synonym EXACT

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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227234

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