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MUR

Summary
Name:beta-muramic acid
Synonyms:muramic acid
Formula:C9 H17 N O7
Formal charge:0
Formula weight:251.234 Da
Component type:D-saccharide, beta linking

Chemical Identifiers

ProgramVersionName
ACDLabs10.042-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose
OpenEye OEToolkits1.5.0(2R)-2-[(2R,3R,4R,5S,6R)-3-amino-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoic acid
PDB-CARE1.0b-D-GlcpN3
GMML1.0Mur

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C
SMILES_CANONICALCACTVS3.341C[C@@H](O[C@@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O
SMILESCACTVS3.341C[CH](O[CH]1[CH](N)[CH](O)O[CH](CO)[CH]1O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N
SMILESOpenEye OEToolkits1.5.0CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N
InChIInChI1.03InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9-/m1/s1
InChIKeyInChI1.03MSFSPUZXLOGKHJ-KTZFPWNASA-N

217157

PDB entries from 2024-03-13

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