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Concept information

Preferred term

نفتومایسین جی  

Type

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

charge

  • 0

formula

  • C44H52N2O12S

inchi

  • InChI=1S/C44H52N2O12S/c1-22-12-10-8-9-11-13-34(51)46-37-41(55)30-19-27(6)40(54)36(35(30)42(56)43(37)59-21-31(44(57)58)45-28(7)47)39(53)26(5)18-25(4)38(52)24(3)15-17-29(48)16-14-23(2)33(50)20-32(22)49/h8-15,17-19,22,24-25,29,31-32,38,48-49,52,54H,16,20-21H2,1-7H3,(H,45,47)(H,46,51)(H,57,58)/b9-8-,12-10+,13-11+,17-15+,23-14+,26-18-/t22-,24-,25-,29-,31-,32-,38-/m0/s1

inchikey

  • VEDOKYSBCNXSGP-FJKGIEQNSA-N

mass

  • 832.960

monoisotopicmass

  • 832.32410

smiles

  • S(C1=C2NC(=O)C=CC=CC=C[C@@H]([C@@H](O)CC(=O)C(C)=CC[C@@H](C=C[C@@H]([C@@H]([C@H](C=C(C(C=3C(C1=O)=C(C2=O)C=C(C)C3O)=O)C)C)O)C)O)C)C[C@H](NC(=O)C)C(=O)O

subset

  • 2_STAR

synonym EXACT

  • (2R)-2-acetamido-3-[[(7Z,9S,10S,11S,12E,14S,16E,20S,21S,22E,24Z,26E)-4,10,14,20-tetrahydroxy-3,7,9,11,17,21-hexamethyl-6,18,28,32,34-pentaoxo-29-azatricyclo[28.3.1.05,33]tetratriaconta-1(33),2,4,7,12,16,22,24,26,30-decaen-31-yl]sulanyl]propanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224389

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