BioLiP

PDB

BioLiP

PDB CCD ID:

MFB

Number of entries in BioLiP:

Chemical formula:

C7 H14 O5

InChI:

InChI=1S/C7H14O5/c1-3-4(8)5(9)6(10)7(11-2)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1

InChIKey:

OHWCAVRRXKJCRB-XUVCUMPTSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)OC)O)O)O
OpenEye OEToolkits 1.5.0	CC1C(C(C(C(O1)OC)O)O)O
ACDLabs 10.04	OC1C(O)C(O)C(OC1OC)C
CACTVS 3.341	CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
CACTVS 3.341	CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O

Name:

methyl beta-L-fucopyranoside;
BETA-L-METHYL-FUCOSE;
methyl 6-deoxy-beta-L-galactopyranoside;
methyl beta-L-fucoside;
methyl L-fucoside;
methyl fucoside

ChEMBL:

CHEMBL1234283

DrugBank:

DB03194

ZINC:

ZINC000004283898

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).