BioLiP

PDB

BioLiP

PDB CCD ID:

MUR

Number of entries in BioLiP:

Chemical formula:

C9 H17 N O7

InChI:

InChI=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

InChIKey:

MSFSPUZXLOGKHJ-KTZFPWNASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N
OpenEye OEToolkits 1.5.0	C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N
CACTVS 3.341	C[C@@H](O[C@@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O
CACTVS 3.341	C[CH](O[CH]1[CH](N)[CH](O)O[CH](CO)[CH]1O)C(O)=O
ACDLabs 10.04	O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C

Name:

beta-muramic acid;
muramic acid

ZINC:

ZINC000004097160

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).