BioLiP

PDB

BioLiP

PDB CCD ID:

P9S

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O4 S

InChI:

InChI=1S/C6H13NO4S/c7-5(6(10)11)3-12-2-4(9)1-8/h4-5,8-9H,1-3,7H2,(H,10,11)/t4-,5+/m1/s1

InChIKey:

GPWYBXDQHZIBPR-UHNVWZDZSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	C(C(CSCC(C(=O)O)N)O)O
CACTVS 3.385	N[CH](CSC[CH](O)CO)C(O)=O
CACTVS 3.385	N[C@@H](CSC[C@H](O)CO)C(O)=O
OpenEye OEToolkits 2.0.5	C([C@H](CSC[C@@H](C(=O)O)N)O)O

Name:

dihydroxypropylcysteine

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).