BioLiP

PDB

BioLiP

PDB CCD ID:

293

Number of entries in BioLiP:

Chemical formula:

C7 H14 O6

InChI:

InChI=1S/C7H14O6/c8-2-4(10)7-6(12)3(9)1-5(11)13-7/h3-12H,1-2H2/t3-,4+,5+,6+,7-/m1/s1

InChIKey:

XKBYYTRLKVABMB-PFCGLBSHSA-N

SMILES:

Software	SMILES
CACTVS 3.341	OC[CH](O)[CH]1O[CH](O)C[CH](O)[CH]1O
CACTVS 3.341	OC[C@H](O)[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O
ACDLabs 10.04	OC1C(OC(O)CC1O)C(O)CO
OpenEye OEToolkits 1.5.0	C1C(C(C(OC1O)C(CO)O)O)O
OpenEye OEToolkits 1.5.0	C1[C@H]([C@@H]([C@H](O[C@@H]1O)[C@H](CO)O)O)O

Name:

2-deoxy-beta-L-galacto-heptopyranose;
(2S,4R,5S,6R)-6-((S)-1,2-dihydroxyethyl)tetrahydro-2H-pyran-2,4,5-triol;
2-deoxy-L-glycero-D-manno-heptose;
2-deoxy-beta-L-galacto-heptose;
2-deoxy-L-galacto-heptose;
2-deoxy-galacto-heptose

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).