SEQ2FUN

BioLiP

PDB CCD ID: A1AUW
Number of entries in BioLiP: 0
Chemical formula: C9 H17 N O11 S
InChI: InChI=1S/C9H17NO11S/c10-3(1-11)8(15)21-22(17,18)20-7-6(14)5(13)4(2-12)19-9(7)16/h1,3-9,12-16H,2,10H2/t3-,4-,5+,6+,7-,8-,9-/m1/s1
InChIKey: SVOHLIRUYCRLII-YVRYLLMOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@H](C=O)[C@H](O)O[S](=O)(=O)O[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
OpenEye OEToolkits 3.1.0.0C(C1C(C(C(C(O1)O)OS(=O)(=O)OC(C(C=O)N)O)O)O)O
ACDLabs 14.52OC1OC(CO)C(O)C(O)C1OS(=O)(=O)OC(O)C(N)C=O
CACTVS 3.385N[CH](C=O)[CH](O)O[S](=O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
OpenEye OEToolkits 3.1.0.0C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)OS(=O)(=O)O[C@H]([C@@H](C=O)N)O)O)O)O
Name:2-O-{[(1R,2R)-2-amino-1-hydroxy-3-oxopropoxy]sulfonyl}-beta-D-galactopyranose
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).