BioLiP

PDB

BioLiP

PDB CCD ID:

9DC

Number of entries in BioLiP:

Chemical formula:

C3 H8 O S2

InChI:

InChI=1S/C3H8OS2/c4-1-3(6)2-5/h3-6H,1-2H2/t3-/m0/s1

InChIKey:

WQABCVAJNWAXTE-VKHMYHEASA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC[C@H](S)CS
OpenEye OEToolkits 2.0.6	C(C(CS)S)O
CACTVS 3.385	OC[CH](S)CS
OpenEye OEToolkits 2.0.6	C([C@@H](CS)S)O
ACDLabs 12.01	OCC(S)CS

Name:

(2S)-2,3-disulfanylpropan-1-ol

ZINC:

ZINC000000901552

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).