BioLiP

PDB

BioLiP

PDB CCD ID:

GU2

Number of entries in BioLiP:

Chemical formula:

C8 H14 O7

InChI:

InChI=1S/C8H14O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-6,8-9,12H,1-2H3,(H,10,11)/t3?,4-,5+,6+,8+/m0/s1

InChIKey:

YEGNNGDFCAGXPA-OHZVEFKRSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)=O
ACDLabs 10.04	O=C(O)C1OC(O)C(OC)C(OC)C1O
OpenEye OEToolkits 1.5.0	COC1C(C(OC(C1OC)O)C(=O)O)O
CACTVS 3.341	CO[C@H]1[C@H](O)O[C@H]([C@@H](O)[C@@H]1OC)C(O)=O
OpenEye OEToolkits 1.5.0	CO[C@H]1[C@@H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O

Name:

2,3-di-O-methyl-alpha-L-idopyranuronic acid;
2,3-di-O-methyl-alpha-L-iduronic acid;
2,3-di-O-methyl-L-iduronic acid;
2,3-di-O-methyl-iduronic acid

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).