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CHEBI:195209 - GlcNAc-1,6-anhMurNAc(1−)

ChEBI IDCHEBI:195209
ChEBI NameGlcNAc-1,6-anhMurNAc(1−)
Stars
ASCII NameGlcNAc-1,6-anhMurNAc(1-)
DefinitionA carbohydrate acid derivative anion arising from deprotonation of the carboxy group of GlcNAc-1,6-anhMurNAc; major species at pH 7.3.
Submitternhn
DownloadsMolfile
FormulaC19H29N2O12
Net Charge-1
Average Mass477.443
Monoisotopic Mass477.17260
SMILES[H][C@@]1(O[C@H]2[C@H](O[C@H](C)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
WURCSWURCS=2.0/2,2,1/[a2122h-1b_1-5_1-6_2*NCC/3=O_3*OC^RCO/4=O/3C][a2122h-1b_1-5_2*NCC/3=O]/1-2/a4-b1
InChIInChI=1S/C19H30N2O12/c1-6(17(27)28)30-16-12(21-8(3)24)18-29-5-10(32-18)15(16)33-19-11(20-7(2)23)14(26)13(25)9(4-22)31-19/h6,9-16,18-19,22,25-26H,4-5H2,1-3H3,(H,20,23)(H,21,24)(H,27,28)/p-1/t6-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19+/m1/s1
InChIKeyMWWQKONGFKUAEK-STFZFCBQSA-M
ChEBI Ontology
Outgoing Relation(s)
GlcNAc-1,6-anhMurNAc(1−) (CHEBI:195209) is a carbohydrate acid derivative anion (CHEBI:63551)
GlcNAc-1,6-anhMurNAc(1−) (CHEBI:195209) is a disaccharide (CHEBI:36233)
UniProt Name  Source
N-acetyl-β-D-glucosaminyl-(1→4)-1,6-anhydro-N-acetyl-β-D-muramateUniProt
Citations