BioLiP

PDB

BioLiP

PDB CCD ID:

G8Z

Number of entries in BioLiP:

Chemical formula:

C10 H18 O6

InChI:

InChI=1S/C10H18O6/c1-3-4-15-10-8(13)7(12)9(14-2)6(5-11)16-10/h3,6-13H,1,4-5H2,2H3/t6-,7-,8+,9-,10+/m1/s1

InChIKey:

VOIKDSWIMJSKCR-SPFKKGSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COC1C(OC(C(C1O)O)OCC=C)CO
OpenEye OEToolkits 1.7.6	CO[C@@H]1[C@H](O[C@@H]([C@H]([C@H]1O)O)OCC=C)CO
CACTVS 3.385	CO[C@H]1[C@H](O)[C@H](O)[C@@H](OCC=C)O[C@@H]1CO
CACTVS 3.385	CO[CH]1[CH](O)[CH](O)[CH](OCC=C)O[CH]1CO

Name:

prop-2-en-1-yl 4-O-methyl-alpha-D-mannopyranoside;
Allyl-Alpha-4-Methyl-Mannoside;
prop-2-en-1-yl 4-O-methyl-alpha-D-mannoside;
prop-2-en-1-yl 4-O-methyl-D-mannoside;
prop-2-en-1-yl 4-O-methyl-mannoside

ChEMBL:

CHEMBL3798866

ZINC:

ZINC000653851576

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).