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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name β-GlcNAc-(1→4)-MurNAc-L-Ala-γ-D-Glu-L-Lys-(D-Ala)2
ChEBI ID CHEBI:55424
ChEBI ASCII Name beta-GlcNAc-(1->4)-MurNAc-L-Ala-gamma-D-Glu-L-Lys-(D-Ala)2
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:55420
Supplier Information
Download Molfile XML SDF
Formula C39H66N8O20
Net Charge 0
Average Mass 966.98290
Monoisotopic Mass 966.43934
InChI InChI=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
InChIKey JOINUXSTSJWDMM-HRQBXKDRSA-N
SMILES C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1[C@@H](NC(C)=O)C(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)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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)
Last Modified
01 February 2010