BioLiP

PDB

BioLiP

PDB CCD ID:

IYV

Number of entries in BioLiP:

Chemical formula:

C9 H19 N O5 S

InChI:

InChI=1S/C9H19NO5S/c1-3(11)4(10)8-6(13)5(12)7(14)9(15-8)16-2/h3-9,11-14H,10H2,1-2H3/t3-,4-,5+,6-,7-,8-,9-/m1/s1

InChIKey:

AEEIMWYSDWZKAT-HJTGYUAHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C(C1C(C(C(C(O1)SC)O)O)O)N)O
OpenEye OEToolkits 2.0.7	C[C@H]([C@H]([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)SC)O)O)O)N)O
CACTVS 3.385	CS[CH]1O[CH]([CH](N)[CH](C)O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385	CS[C@H]1O[C@H]([C@H](N)[C@@H](C)O)[C@H](O)[C@H](O)[C@H]1O

Name:

(2R,3R,4S,5R,6R)-2-[(1R,2R)-1-azanyl-2-oxidanyl-propyl]-6-methylsulfanyl-oxane-3,4,5-triol

ZINC:

ZINC000077303448

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).