EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:195210 - GlcNAc-1,6-anhMurNAc-tripeptide(2−)

ChEBI IDCHEBI:195210
ChEBI NameGlcNAc-1,6-anhMurNAc-tripeptide(2−)
Stars
ASCII NameGlcNAc-1,6-anhMurNAc-tripeptide(2-)
DefinitionA carbohydrate acid derivative anion arising from deprotonation of the carboxy groups and protonation of the amino group of GlcNAc-1,6-anhMurNAc-tripeptide; major species at pH 7.3.
Last Modified5 December 2024
Submitternhn
DownloadsMolfile
FormulaC34H52N6O19
Net Charge-2
Average Mass848.813
Monoisotopic Mass848.32982
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)[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/C34H54N6O19/c1-12(28(47)40-18(32(53)54)8-9-21(44)39-17(31(51)52)7-5-6-16(35)30(49)50)36-29(48)13(2)56-27-23(38-15(4)43)33-55-11-20(58-33)26(27)59-34-22(37-14(3)42)25(46)24(45)19(10-41)57-34/h12-13,16-20,22-27,33-34,41,45-46H,5-11,35H2,1-4H3,(H,36,48)(H,37,42)(H,38,43)(H,39,44)(H,40,47)(H,49,50)(H,51,52)(H,53,54)/p-2/t12-,13+,16+,17-,18+,19+,20+,22+,23+,24+,25+,26+,27+,33+,34-/m0/s1
InChIKeyDOEJFZOCNOYIFL-SLVNCHPGSA-L
ChEBI Ontology
Outgoing Relation(s)
GlcNAc-1,6-anhMurNAc-tripeptide(2−) (CHEBI:195210) is a carbohydrate acid derivative anion (CHEBI:63551)
GlcNAc-1,6-anhMurNAc-tripeptide(2−) (CHEBI:195210) 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-diaminopimelateUniProt
Citations