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CHEBI:140312 - [β-GlcNAc-(1→4)-Mur2Ac(oyl-L-Ala-γ-D-Glu-N-(β-D-Asp)-L-Lys-D-Ala-D-Ala)]n polyanion

ChEBI IDCHEBI:140312
ChEBI Name[β-GlcNAc-(1→4)-Mur2Ac(oyl-L-Ala-γ-D-Glu-N-(β-D-Asp)-L-Lys-D-Ala-D-Ala)]n polyanion
Stars
ASCII Name[beta-GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-N-(beta-D-Asp)-L-Lys-D-Ala-D-Ala)]n polyanion
DefinitionA polyanionic polymer corresponding to the major form of [β-GlcNAc-(1→4)-Mur2Ac(oyl-L-Ala-γ-D-Glu-N-(β-D-Asp)-L-Lys-D-Ala-D-Ala)]n at pH 7.3.
Last Modified3 April 2018
SubmitterAnne Morgat
DownloadsMolfile
Formula(C43H67N9O22)n.H2O
Net Charge-2
Average Mass1080.065
Monoisotopic Mass1079.45173
SMILES[H]O[C@H]1[C@H](O)[C@@H](NC(C)=O)[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]([NH3+])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@H](O)O[C@@H]2CO)O[C@@H]1CO
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)/p-2/t16-,17+,18-,19-,22-,23+,24-,25-,26-,29-,30-,31-,32-,33-,34-,42-,43+/m1/s1
InChIKeyUURVLNBFAKAOHX-BMWWWBHFSA-L
ChEBI Ontology
Outgoing Relation(s)
[β-GlcNAc-(1→4)-Mur2Ac(oyl-L-Ala-γ-D-Glu-N-(β-D-Asp)-L-Lys-D-Ala-D-Ala)]n polyanion (CHEBI:140312) is a polyanionic polymer (CHEBI:61469)
UniProt Name  Source
[β-GlcNAc-(1→4)-Mur2Ac(oyl-L-Ala-γ-D-Glu-N-(β-D-Asp)-L-Lys-D-Ala-D-Ala)]nUniProt