BioLiP

PDB

BioLiP

PDB CCD ID:

1S4

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-GLPGPYIRSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N
CACTVS 3.370	C[C@@H](O[C@@H]1[C@@H](N)[C@@H](O)O[C@H](CO)[C@H]1O)C(O)=O
OpenEye OEToolkits 1.7.6	C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N
CACTVS 3.370	C[CH](O[CH]1[CH](N)[CH](O)O[CH](CO)[CH]1O)C(O)=O
ACDLabs 12.01	O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C

Name:

alpha-muramic acid;
muramic acid;
2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose

ZINC:

ZINC000003861271

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).