BioLiP

PDB

BioLiP

PDB CCD ID:

BRI

Number of entries in BioLiP:

Chemical formula:

C7 H14 O4

InChI:

InChI=1/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6+,7+/m1/s1

InChIKey:

CDRBUGSWTNDUSM-JWXFUTCRBV

SMILES:

Software	SMILES
CACTVS 3.341	CO[CH]1[CH](C)O[CH](O)C[CH]1O
OpenEye OEToolkits 1.5.0	CC1C(C(CC(O1)O)O)OC
OpenEye OEToolkits 1.5.0	C[C@@H]1[C@@H]([C@@H](C[C@H](O1)O)O)OC
ACDLabs 10.04	O(C1C(OC(O)CC1O)C)C
CACTVS 3.341	CO[C@H]1[C@@H](C)O[C@H](O)C[C@H]1O

Name:

(O4)-METHYL-2-DEOXYFUCOSE

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).