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CHEBI:195211 - GlcNAc-1,6-anhMurNAc-pentapeptide(2−)

ChEBI IDCHEBI:195211
ChEBI NameGlcNAc-1,6-anhMurNAc-pentapeptide(2−)
Stars
ASCII NameGlcNAc-1,6-anhMurNAc-pentapeptide(2-)
DefinitionA carbohydrate acid derivative anion arising from deprotonation of the carboxy groups and protonation of the amino group of GlcNAc-1,6-anhMurNAc-pentapeptide; major species at pH 7.3.
Last Modified5 December 2024
Submitternhn
DownloadsMolfile
FormulaC40H62N8O21
Net Charge-2
Average Mass990.971
Monoisotopic Mass990.40405
SMILES[H][C@@]1(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](CCC[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]3OC[C@H]2O3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O
InChIInChI=1S/C40H64N8O21/c1-14(32(55)44-16(3)36(59)60)43-35(58)21(9-7-8-20(41)37(61)62)47-25(52)11-10-22(38(63)64)48-33(56)15(2)42-34(57)17(4)66-31-27(46-19(6)51)39-65-13-24(68-39)30(31)69-40-26(45-18(5)50)29(54)28(53)23(12-49)67-40/h14-17,20-24,26-31,39-40,49,53-54H,7-13,41H2,1-6H3,(H,42,57)(H,43,58)(H,44,55)(H,45,50)(H,46,51)(H,47,52)(H,48,56)(H,59,60)(H,61,62)(H,63,64)/p-2/t14-,15+,16-,17-,20-,21+,22-,23-,24-,26-,27-,28-,29-,30-,31-,39-,40+/m1/s1
InChIKeyXHMAKYORQAVSPY-WSLAIONWSA-L
ChEBI Ontology
Outgoing Relation(s)
GlcNAc-1,6-anhMurNAc-pentapeptide(2−) (CHEBI:195211) is a carbohydrate acid derivative anion (CHEBI:63551)
GlcNAc-1,6-anhMurNAc-pentapeptide(2−) (CHEBI:195211) is a peptide anion (CHEBI:60334)
UniProt Name  Source
N-acetyl-β-D-glucosaminyl-(1→4)-1,6-anhydro-N-acetyl-β-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanineUniProt
Citations