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BioLiP

PDB CCD ID: MMR
Number of entries in BioLiP: 0
Chemical formula: C12 H21 N O8
InChI: InChI=1S/C12H21NO8/c1-5(11(17)18)20-10-8(13-6(2)15)12(19-3)21-7(4-14)9(10)16/h5,7-10,12,14,16H,4H2,1-3H3,(H,13,15)(H,17,18)/t5-,7-,8-,9-,10-,12-/m1/s1
InChIKey: UXEQYDNCHCKBIL-PKKPQKKZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CC(C(=O)O)OC1C(C(OC(C1O)CO)OC)NC(=O)C
OpenEye OEToolkits 1.7.2C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)OC)NC(=O)C
CACTVS 3.370CO[CH]1O[CH](CO)[CH](O)[CH](O[CH](C)C(O)=O)[CH]1NC(C)=O
ACDLabs 12.01O=C(O)C(OC1C(O)C(OC(OC)C1NC(=O)C)CO)C
CACTVS 3.370CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H](C)C(O)=O)[C@H]1NC(C)=O
Name:methyl 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside;
1-O-METHYL-N-ACETYL-MURAMIC ACID
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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