BioLiP

PDB

BioLiP

PDB CCD ID:

OSL

Number of entries in BioLiP:

Chemical formula:

C3 H6 O7 S

InChI:

InChI=1S/C3H6O7S/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)/t2-/m1/s1

InChIKey:

WBBSXOGBMVRPSH-UWTATZPHSA-N

SMILES:

Software	SMILES
CACTVS 3.370	O[CH](CO[S](O)(=O)=O)C(O)=O
CACTVS 3.370	O[C@H](CO[S](O)(=O)=O)C(O)=O
ACDLabs 12.01	O=S(=O)(OCC(O)C(=O)O)O
OpenEye OEToolkits 1.7.0	C(C(C(=O)O)O)OS(=O)(=O)O
OpenEye OEToolkits 1.7.0	C([C@H](C(=O)O)O)OS(=O)(=O)O

Name:

(2R)-2-hydroxy-3-(sulfooxy)propanoic acid

ZINC:

ZINC000013532377

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).