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

Concept information

Preferred term

soliseptide a  

Type

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

charge

  • 0

formula

  • C31H54N8O9

inchi

  • InChI=1S/C31H54N8O9/c1-15(2)12-22-29(45)38-21(13-19(41)14-33-38)28(44)36(8)25(17(5)6)31(47)37-20(10-9-11-32-37)26(42)35-24(18(7)40)27(43)34-23(16(3)4)30(46)39(22)48/h15-25,32-33,40-41,48H,9-14H2,1-8H3,(H,34,43)(H,35,42)/t18-,19-,20-,21-,22+,23-,24+,25+/m1/s1

inchikey

  • DMXYJHVUOOQCBE-ZZPPOGJJSA-N

mass

  • 682.820

monoisotopicmass

  • 682.40138

smiles

  • O=C1N(O)[C@H](C(=O)N2NC[C@H](O)C[C@@H]2C(=O)N([C@H](C(=O)N3[C@@H](C(N[C@H](C(N[C@@H]1C(C)C)=O)[C@H](O)C)=O)CCCN3)C(C)C)C)CC(C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,6R,8R,13S,16R,19S,22R)-8,14-dihydroxy-19-[(1R)-1-hydroxyethyl]-4-methyl-13-(2-methylpropyl)-3,16-di(propan-2-yl)-1,4,10,11,14,17,20,26-octazatricyclo[20.4.0.06,11]hexacosane-2,5,12,15,18,21-hexone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:216944

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