skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

n-demethylerythromycin a  

Type

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

Broader concept

charge

  • 0

formula

  • C36H65NO13

inchi

  • InChI=1S/C36H65NO13/c1-13-24-36(10,44)29(40)19(4)26(38)17(2)15-34(8,43)31(50-33-27(39)23(37-11)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-35(9,45-12)30(41)22(7)47-25/h17-25,27-31,33,37,39-41,43-44H,13-16H2,1-12H3

inchikey

  • TXOOBKBDBNRQCF-UHFFFAOYSA-N

mass

  • 719.910

monoisotopicmass

  • 719.44559

smiles

  • O=C1OC(C(O)(C(O)C(C(=O)C(C)CC(C(C(C(C1C)OC2OC(C(O)C(C2)(OC)C)C)C)OC3OC(CC(C3O)NC)C)(O)C)C)C)CC

subset

  • 2_STAR

synonym EXACT

  • (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:201765

Download this concept: