BioLiP

PDB

BioLiP

PDB CCD ID:

289

Number of entries in BioLiP:

Chemical formula:

C7 H14 O7

InChI:

InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2/t2-,3+,4+,5+,6-,7+/m1/s1

InChIKey:

BGWQRWREUZVRGI-QTNLNCNHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C([C@H]([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O)O
CACTVS 3.341	OC[C@@H](O)[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0	C(C(C1C(C(C(C(O1)O)O)O)O)O)O
CACTVS 3.341	OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 10.04	OC1C(O)C(OC(O)C1O)C(O)CO

Name:

D-glycero-alpha-D-manno-heptopyranose;
D-glycero-alpha-D-manno-heptose;
D-glycero-D-manno-heptose;
D-glycero-manno-heptose

ZINC:

ZINC000016052531

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).