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CHEBI:28514 - N-acetyl-D-glucosaminyl-(1→4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine

ChEBI IDCHEBI:28514
ChEBI NameN-acetyl-D-glucosaminyl-(1→4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine
Stars
ASCII NameN-acetyl-D-glucosaminyl-(1->4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine
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 tripeptide L-alanyl-D-glutamyl-6-carboxy-L-lysine via an amide linkage.
Secondary ChEBI IDsCHEBI:7133, CHEBI:21530
Last Modified20 January 2016
DownloadsMolfile
FormulaC34H56N6O20
Net Charge0
Average Mass868.844
Monoisotopic Mass868.35494
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](CCCC(N)C(=O)O)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/C34H56N6O20/c1-12(28(48)40-18(32(54)55)8-9-21(45)39-17(31(52)53)7-5-6-16(35)30(50)51)36-29(49)13(2)57-27-23(38-15(4)44)33(56)58-20(11-42)26(27)60-34-22(37-14(3)43)25(47)24(46)19(10-41)59-34/h12-13,16-20,22-27,33-34,41-42,46-47,56H,5-11,35H2,1-4H3,(H,36,49)(H,37,43)(H,38,44)(H,39,45)(H,40,48)(H,50,51)(H,52,53)(H,54,55)/t12-,13+,16?,17-,18+,19+,20+,22+,23+,24+,25+,26+,27+,33?,34-/m0/s1
InChIKeyYYHVEOZOKOAOKS-WGSAIHTNSA-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)
N-acetyl-D-glucosaminyl-(1→4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine (CHEBI:28514) is a N-acetyl-β-D-glycosaminyl glycopeptide (CHEBI:17149)
N-acetyl-D-glucosaminyl-(1→4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine (CHEBI:28514) is conjugate acid of N-acetyl-D-glucosaminyl-(1→4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine(2−) (CHEBI:90763)
Incoming Relation(s)
N-acetyl-D-glucosaminyl-(1→4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine(2−) (CHEBI:90763) is conjugate base of N-acetyl-D-glucosaminyl-(1→4)-N-acetylmuramoyl-L-alanyl-D-glutamyl-6-carboxy-L-lysine (CHEBI:28514)
Synonyms  Source
N-Acetyl-D-glucosaminyl-N-acetylmuramoyl-L-Ala-D-glutamyl-6-carboxy-L-lysineKEGG COMPOUND
β-GlcNAc-(1→4)-MurNAc-L-Ala-γ-D-Glu-6-carboxy-L-LysChEBI
Manual XrefsDatabases
C04876KEGG COMPOUND