BioLiP

PDB

BioLiP

PDB CCD ID:

3LJ

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O8 S

InChI:

InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1

InChIKey:

MTDHILKWIRSIHB-UKFBFLRUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)O)O)OS(=O)(=O)O
CACTVS 3.385	N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6	C(C1C(C(C(C(O1)O)N)O)O)OS(=O)(=O)O
CACTVS 3.385	N[C@H]1[C@@H](O)O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@@H]1O
ACDLabs 12.01	O=S(=O)(O)OCC1OC(O)C(N)C(O)C1O

Name:

2-amino-2-deoxy-6-O-sulfo-alpha-D-glucopyranose;
N-acetyl-6-O-sulfo-alpha-D-glucosamine;
2-amino-2-deoxy-6-O-sulfo-alpha-D-glucose;
2-amino-2-deoxy-6-O-sulfo-D-glucose;
2-amino-2-deoxy-6-O-sulfo-glucose

ZINC:

ZINC000013543969

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).