BioLiP

PDB

BioLiP

PDB CCD ID:

MMN

Number of entries in BioLiP:

Chemical formula:

C8 H19 N O6

InChI:

InChI=1S/C8H19NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h4-15H,2-3H2,1H3/t4-,5+,6+,7+,8+/m0/s1

InChIKey:

OUBSZQOZVSSBQR-SLBCVNJHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(N[C@H](CO)[C@H]([C@@H]([C@@H](CO)O)O)O)O
CACTVS 3.341	C[C@H](O)N[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)CO
CACTVS 3.341	C[CH](O)N[CH](CO)[CH](O)[CH](O)[CH](O)CO
OpenEye OEToolkits 1.5.0	CC(NC(CO)C(C(C(CO)O)O)O)O
ACDLabs 10.04	OC(C(NC(O)C)CO)C(O)C(O)CO

Name:

5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-D-GLUCITOL;
N-ACETYLMANNOSAMINITOL

DrugBank:

DB02787

ZINC:

ZINC000033821406

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).