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Concept information

Preferred term

a-53930a  

Type

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

Broader concept

charge

  • 0

formula

  • C37H70N14O11

inchi

  • InChI=1S/C37H70N14O11/c38-9-1-5-19(39)13-25(53)44-10-2-6-20(40)14-26(54)45-11-3-7-21(41)15-27(55)46-12-4-8-22(42)16-28(56)48-31-33(58)32(57)24(18-61-36(43)60)62-35(31)51-37-49-29-23(52)17-47-34(59)30(29)50-37/h19-24,29-33,35,52,57-58H,1-18,38-42H2,(H2,43,60)(H,44,53)(H,45,54)(H,46,55)(H,47,59)(H,48,56)(H2,49,50,51)/t19?,20?,21?,22?,23?,24-,29?,30?,31-,32+,33+,35?/m1/s1

inchikey

  • JFQUFGDPMVGHMW-ISKHFNJQSA-N

mass

  • 887.054

monoisotopicmass

  • 886.53485

smiles

  • O=C1NCC(O)C2C1N=C(NC3O[C@@H]([C@H](O)[C@H]([C@H]3NC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)O)COC(=O)N)N2

subset

  • 2_STAR

synonym EXACT

  • [(2R,3R,4S,5R)-5-[[3-amino-6-[[3-amino-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3,4-dihydroxy-6-[(7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl)amino]oxan-2-yl]methyl carbamate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:203330

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