BioLiP

PDB

BioLiP

PDB CCD ID:

6KM

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3 S

InChI:

InChI=1S/C6H11NO3S/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1

InChIKey:

PFQQQKYLKYCDDY-BYPYZUCNSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CCC(=O)SC[C@@H](C(=O)O)N
CACTVS 3.385	CCC(=O)SC[CH](N)C(O)=O
CACTVS 3.385	CCC(=O)SC[C@H](N)C(O)=O
ACDLabs 12.01	NC(CSC(CC)=O)C(=O)O
OpenEye OEToolkits 2.0.4	CCC(=O)SCC(C(=O)O)N

Name:

S-propanoyl-L-cysteine

ZINC:

ZINC000238222266

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).