BioLiP

PDB

BioLiP

PDB CCD ID:

7CV

Number of entries in BioLiP:

Chemical formula:

C8 H16 O5

InChI:

InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7+,8+/m0/s1

InChIKey:

SXWBIRCAXZNEGK-TVNFTVLESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O)OC)OC)O
ACDLabs 12.01	C1(O)C(OC)C(C(C(O1)C)O)OC
OpenEye OEToolkits 2.0.6	CC1C(C(C(C(O1)O)OC)OC)O
CACTVS 3.385	CO[CH]1[CH](O)O[CH](C)[CH](O)[CH]1OC
CACTVS 3.385	CO[C@H]1[C@H](O)O[C@@H](C)[C@H](O)[C@H]1OC

Name:

6-deoxy-2,3-di-O-methyl-alpha-L-mannopyranose;
6-deoxy-2,3-di-O-methyl-alpha-L-mannose;
6-deoxy-2,3-di-O-methyl-L-mannose;
6-deoxy-2,3-di-O-methyl-mannose

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).