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Concept information

Preferred term

a-53930b  

Type

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

Broader concept

charge

  • 0

formula

  • C43H82N16O12

inchi

  • InChI=1S/C43H82N16O12/c44-11-1-6-23(45)16-30(61)51-12-2-7-24(46)17-31(62)52-13-3-8-25(47)18-32(63)53-14-4-9-26(48)19-33(64)54-15-5-10-27(49)20-34(65)56-37-39(67)38(66)29(22-70-42(50)69)71-41(37)59-43-57-35-28(60)21-55-40(68)36(35)58-43/h23-29,35-39,41,60,66-67H,1-22,44-49H2,(H2,50,69)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,55,68)(H,56,65)(H2,57,58,59)/t23?,24?,25?,26?,27?,28?,29-,35?,36?,37-,38+,39+,41?/m1/s1

inchikey

  • IJDNLUQURNFBKI-RWXVWNDGSA-N

mass

  • 1015.229

monoisotopicmass

  • 1014.62981

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)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-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]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:209676

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