BioLiP

PDB

BioLiP

PDB CCD ID:

ABE

Number of entries in BioLiP:

Chemical formula:

C6 H12 O4

InChI:

InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1

InChIKey:

KYPWIZMAJMNPMJ-KAZBKCHUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC1C(CC(C(O1)O)O)O
OpenEye OEToolkits 1.5.0	C[C@@H]1[C@@H](C[C@H]([C@H](O1)O)O)O
CACTVS 3.341	C[CH]1O[CH](O)[CH](O)C[CH]1O
ACDLabs 10.04	OC1C(OC(O)C(O)C1)C
CACTVS 3.341	C[C@H]1O[C@H](O)[C@H](O)C[C@H]1O

Name:

alpha-D-Abequopyranose;
alpha-D-Abequose;
3,6-dideoxy-alpha-D-xylo-hexopyranose;
3,6-dideoxy-alpha-D-gulopyranose;
3,6-dideoxy-alpha-D-galactopyranose;
3-deoxy-alpha-D-fucopyranose;
D-Abequose;
Abequose

DrugBank:

DB02590

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).