BioLiP

PDB

BioLiP

PDB CCD ID:

SFU

Number of entries in BioLiP:

Chemical formula:

C7 H14 O4 Se

InChI:

InChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1

InChIKey:

VHTNTJQSKJZERS-XUVCUMPTSA-N

SMILES:

Software	SMILES
CACTVS 3.352	C[Se][C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.6.1	C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)[Se]C)O)O)O
CACTVS 3.352	C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.6.1	CC1C(C(C(C(O1)[Se]C)O)O)O
ACDLabs 10.04	OC1C(O)C(O)C(OC1[Se]C)C

Name:

methyl 1-seleno-alpha-L-fucopyranoside;
METHYL 6-DEOXY-1-SELENO-ALPHA-L-GALACTOPYRANOSIDE;
methyl 1-seleno-alpha-L-fucoside;
methyl 1-seleno-L-fucoside;
methyl 1-seleno-fucoside

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).