BioLiP

PDB

BioLiP

PDB CCD ID:

A1JAQ

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O4

InChI:

InChI=1S/C6H13NO4/c1-2-3(8)4(9)5(10)6(7)11-2/h2-6,8-10H,7H2,1H3/t2-,3+,4+,5-,6-/m0/s1

InChIKey:

UTVXFQMLZSPQLB-KGJVWPDLSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[C@@H]1O[C@H](N)[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7	CC1C(C(C(C(O1)N)O)O)O
CACTVS 3.385	C[CH]1O[CH](N)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)N)O)O)O

Name:

1-amino-1,6-dideoxy-beta-L-galacto-hexopyranose;
1-amino-1-deoxy-b-L-fucopyranoside;
beta-L-fucopyranosylamine

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).