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CHEBI:55478 - β-GlcNAc-(1→4)-MurNAc-L-Ala-γ-D-Glu-N6-(β-D-Asp)-L-Lys-(D-Ala)2

ChEBI IDCHEBI:55478
ChEBI Nameβ-GlcNAc-(1→4)-MurNAc-L-Ala-γ-D-Glu-N6-(β-D-Asp)-L-Lys-(D-Ala)2
Stars
ASCII Namebeta-GlcNAc-(1->4)-MurNAc-L-Ala-gamma-D-Glu-N(6)-(beta-D-Asp)-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-N6-(β-D-Asp)-L-Lys-D-Ala-D-Ala via an amide linkage.
Last Modified1 February 2010
SubmitterSteve
DownloadsMolfile
FormulaC43H71N9O23
Net Charge0
Average Mass1082.081
Monoisotopic Mass1081.46628
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](CCCCNC(=O)C[C@@H](N)C(=O)O)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/C43H71N9O23/c1-16(35(61)48-18(3)39(65)66)47-38(64)23(9-7-8-12-45-28(58)13-22(44)40(67)68)51-27(57)11-10-24(41(69)70)52-36(62)17(2)46-37(63)19(4)72-34-30(50-21(6)56)42(71)73-26(15-54)33(34)75-43-29(49-20(5)55)32(60)31(59)25(14-53)74-43/h16-19,22-26,29-34,42-43,53-54,59-60,71H,7-15,44H2,1-6H3,(H,45,58)(H,46,63)(H,47,64)(H,48,61)(H,49,55)(H,50,56)(H,51,57)(H,52,62)(H,65,66)(H,67,68)(H,69,70)/t16-,17+,18-,19-,22-,23+,24-,25-,26-,29-,30-,31-,32-,33-,34-,42?,43+/m1/s1
InChIKeyUURVLNBFAKAOHX-TYUFIZCKSA-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-N6-(β-D-Asp)-L-Lys-(D-Ala)2 (CHEBI:55478) is a N-acetyl-β-D-glycosaminyl glycopeptide (CHEBI:17149)