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Concept information

Preferred term

MGA 787  

Type

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

Broader concept

charge

  • +1

formula

  • C29H50N5O14S3

inchi

  • InChI=1S/C29H49N5O14S3/c1-19(2)25(35)12-10-20(3)14-16-33(29(30)31)15-8-9-24(34(5,6)7)28(36)32-21(4)27(48-51(43,44)45)22-11-13-26(47-50(40,41)42)23(17-22)18-46-49(37,38)39/h11,13-14,17,21,24-25,27,35H,1,8-10,12,15-16,18H2,2-7H3,(H6-,30,31,32,36,37,38,39,40,41,42,43,44,45)/p+1/b20-14-

inchikey

  • UWTXKITXALYADV-ZHZULCJRSA-O

mass

  • 788.920

monoisotopicmass

  • 788.25109

smiles

  • S(=O)(=O)(OC1=C(C=C(C(OS(=O)(=O)O)C(NC(=O)C([N+](C)(C)C)CCCN(C(=N)N)C/C=C(/CCC(O)C(=C)C)/C)C)C=C1)COS(=O)(=O)O)O

subset

  • 2_STAR

synonym EXACT

  • [5-[carbamimidoyl-[(2Z)-6-hydroxy-3,7-dimethylocta-2,7-dienyl]amino]-1-oxo-1-[[1-sulooxy-1-[4-sulooxy-3-(sulooxymethyl)phenyl]propan-2-yl]amino]pentan-2-yl]-trimethylazanium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227261

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