BioLiP

PDB

BioLiP

PDB CCD ID:

RVM

Number of entries in BioLiP:

Chemical formula:

C8 H16 O4

InChI:

InChI=1S/C8H16O4/c1-5-4-6(10-2)7(11-3)8(9)12-5/h5-9H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1

InChIKey:

MRHDSSSOHRLNIT-CWKFCGSDSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CO[C@H]1C[C@@H](C)O[C@H](O)[C@@H]1OC
OpenEye OEToolkits 2.0.7	CC1CC(C(C(O1)O)OC)OC
ACDLabs 12.01	C1C(OC)C(OC)C(OC1C)O
OpenEye OEToolkits 2.0.7	C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)OC)OC
CACTVS 3.385	CO[CH]1C[CH](C)O[CH](O)[CH]1OC

Name:

4,6-dideoxy-2,3-di-O-methyl-alpha-D-xylo-hexopyranose

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).