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Concept information

Preferred term

انیاتین K1  

Type

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

charge

  • 0

formula

  • C32H55N3O9

inchi

  • InChI=1S/C32H55N3O9/c1-15-21-30(39)42-25(19(8)9)28(37)34(13)23(17(4)5)32(41)44-26(20(10)11)29(38)35(14)22(16(2)3)31(40)43-24(18(6)7)27(36)33(21)12/h16-26H,15H2,1-14H3/t21-,22-,23-,24+,25+,26+/m0/s1

inchikey

  • WOLNKVVWOKWVJB-LZNKSJHBSA-N

mass

  • 625.804

monoisotopicmass

  • 625.39383

smiles

  • O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(O[C@@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)CC)C)C(C)C)C(C)C)C)C(C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6R,9S,12R,15S,18R)-3-ethyl-4,10,16-trimethyl-6,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199172

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