BioLiP

PDB

BioLiP

PDB CCD ID:

VPH

Number of entries in BioLiP:

Chemical formula:

C8 H14 O6

InChI:

InChI=1S/C8H14O6/c1-13-8(12)5-2-4(10)7(11)6(3-9)14-5/h4-7,9-11H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1

InChIKey:

GCROCZNWGKBWPY-DBRKOABJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COC(=O)[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
CACTVS 3.385	COC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1
OpenEye OEToolkits 2.0.7	COC(=O)C1CC(C(C(O1)CO)O)O
OpenEye OEToolkits 2.0.7	COC(=O)[C@H]1C[C@H]([C@H]([C@H](O1)CO)O)O

Name:

methyl (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxylate

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).