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CHEBI:55424 - β-GlcNAc-(1→4)-MurNAc-L-Ala-γ-D-Glu-L-Lys-(D-Ala)2

ChEBI IDCHEBI:55424
ChEBI Nameβ-GlcNAc-(1→4)-MurNAc-L-Ala-γ-D-Glu-L-Lys-(D-Ala)2
Stars
ASCII Namebeta-GlcNAc-(1->4)-MurNAc-L-Ala-gamma-D-Glu-L-Lys-(D-Ala)2
DefinitionAn N-acetyl-β-D-glycosaminyl glycopeptide consisting of an N-acetyl-β-D-glycosaminyl-(1→4)-N-acetylmuramoyl moiety attached to the amino terminus of the pentapeptide L-Ala-γ-D-Glu-L-Lys-D-Ala-D-Ala via an amide linkage.
Secondary ChEBI IDCHEBI:55420
Last Modified1 February 2010
SubmitterSteve
DownloadsMolfile
FormulaC39H66N8O20
Net Charge0
Average Mass966.993
Monoisotopic Mass966.43934
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)C(=O)O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C39H66N8O20/c1-15(32(55)43-17(3)36(59)60)42-35(58)21(9-7-8-12-40)46-25(52)11-10-22(37(61)62)47-33(56)16(2)41-34(57)18(4)64-31-27(45-20(6)51)38(63)65-24(14-49)30(31)67-39-26(44-19(5)50)29(54)28(53)23(13-48)66-39/h15-18,21-24,26-31,38-39,48-49,53-54,63H,7-14,40H2,1-6H3,(H,41,57)(H,42,58)(H,43,55)(H,44,50)(H,45,51)(H,46,52)(H,47,56)(H,59,60)(H,61,62)/t15-,16+,17-,18-,21+,22-,23-,24-,26-,27-,28-,29-,30-,31-,38?,39+/m1/s1
InChIKeyJOINUXSTSJWDMM-HRQBXKDRSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
β-GlcNAc-(1→4)-MurNAc-L-Ala-γ-D-Glu-L-Lys-(D-Ala)2 (CHEBI:55424) is a N-acetyl-β-D-glycosaminyl glycopeptide (CHEBI:17149)