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CHEBI:40666 - 1,6-anhydro-N-acetyl-β-muramic acid

ChEBI IDCHEBI:40666
ChEBI Name1,6-anhydro-N-acetyl-β-muramic acid
Stars
ASCII Name1,6-anhydro-N-acetyl-beta-muramic acid
DefinitionAn anhydrohexose derivative that is the 1,6-anhydro-derivative of N-acetyl-β-muramic acid.
Last Modified13 December 2011
DownloadsMolfile
FormulaC11H17NO7
Net Charge0
Average Mass275.257
Monoisotopic Mass275.10050
SMILESCC(=O)N[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](O)[C@@H]1O[C@H](C)C(=O)O
InChIInChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4-,6-,7-,8-,9-,11-/m1/s1
InChIKeyZFEGYUMHFZOYIY-YVNCZSHWSA-N
ChEBI Ontology
Outgoing Relation(s)
1,6-anhydro-N-acetyl-β-muramic acid (CHEBI:40666) has functional parent N-acetyl-β-D-muramic acid (CHEBI:40729)
1,6-anhydro-N-acetyl-β-muramic acid (CHEBI:40666) is a anhydrohexose derivative (CHEBI:63379)
1,6-anhydro-N-acetyl-β-muramic acid (CHEBI:40666) is conjugate acid of 1,6-anhydro-N-acetyl-β-muramate (CHEBI:58690)
Incoming Relation(s)
1,6-anhydro-N-acetyl-β-muramate (CHEBI:58690) is conjugate base of 1,6-anhydro-N-acetyl-β-muramic acid (CHEBI:40666)
IUPAC Name 
(2R)-2-{[(1R,2S,3R,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acid
Synonyms  Source
2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACIDPDBeChem
1,6-anhMurNAcChEBI
(2R)-2-{[(1R,2S,3R,4R,5R)-4-(acetylamino)-2-hydroxy-6,8-dioxabicyclo[3.2.1]oct-3-yl]oxy}propanoic acidIUPAC
1,6-anhydro-N-acetylmuramic acidChEBI
1,6-anhydro-N-acetyl-muramic acidChEBI
Manual XrefsDatabases
AH0PDBeChem
Registry NumbersSources
Beilstein:5094595Beilstein
Citations