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Concept information

... > organooxygen compound > carboxamide > peptide > glycopeptide > n-acetyl-beta-d-glycosaminyl glycopeptide > n-acetyl-4-(n-acetylglucosaminyl)muramoyl-l-alanyl-d-isoglutamine

Preferred term

n-acetyl-4-(n-acetylglucosaminyl)muramoyl-l-alanyl-d-isoglutamine  

Type

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

charge

  • 0

formula

  • C27H45N5O16

inchi

  • InChI=1S/C27H45N5O16/c1-9(24(42)32-13(23(28)41)5-6-16(37)38)29-25(43)10(2)45-22-18(31-12(4)36)26(44)46-15(8-34)21(22)48-27-17(30-11(3)35)20(40)19(39)14(7-33)47-27/h9-10,13-15,17-22,26-27,33-34,39-40,44H,5-8H2,1-4H3,(H2,28,41)(H,29,43)(H,30,35)(H,31,36)(H,32,42)(H,37,38)/t9-,10+,13+,14+,15+,17+,18+,19+,20+,21+,22+,26+,27-/m0/s1

inchikey

  • PIJXCSUPSNFXNE-QRZOAFCBSA-N

mass

  • 695.67010

monoisotopicmass

  • 695.28613

smiles

  • C[C@H](NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O)C(=O)N[C@H](CCC(O)=O)C(N)=O

subset

  • 3_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:59315

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