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CHEBI:8006 - Peptidoglycan(N-acetyl-D-glucosamine)

ChEBI IDCHEBI:8006
ChEBI NamePeptidoglycan(N-acetyl-D-glucosamine)
Stars
Last Modified28 July 2014
DownloadsMolfile

FormulaC34H60N8O18
Net Charge0
Average Mass868.892
Monoisotopic Mass868.40256
SMILESCC(=O)N[C@@H]1[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CON)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
InChIInChI=1S/C34H60N8O18/c1-13(28(49)42-19(12-56-36)31(52)41-18(8-6-7-9-35)30(51)38-14(2)32(53)54)37-29(50)15(3)57-27-23(40-17(5)46)33(55)58-21(11-44)26(27)60-34-22(39-16(4)45)25(48)24(47)20(10-43)59-34/h13-15,18-27,33-34,43-44,47-48,55H,6-12,35-36H2,1-5H3,(H,37,50)(H,38,51)(H,39,45)(H,40,46)(H,41,52)(H,42,49)(H,53,54)/t13-,14+,15+,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,33+,34-/m0/s1
InChIKeyCKCOYJUVSJOCOA-DCHKRTDBSA-N

ChEBI Ontology
Synonyms  Source
Peptidoglycan(N-acetyl-D-glucosamine)KEGG COMPOUND
Peptideglycan(N-acetyl-D-glucosamine)KEGG COMPOUND
Manual XrefsDatabases
C04394KEGG COMPOUND