BioLiP

PDB

BioLiP

PDB CCD ID:

CSA

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O3 S

InChI:

InChI=1S/C6H11NO3S/c1-4(8)2-11-3-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)/t5-/m0/s1

InChIKey:

BYMSHHJFWDLNBG-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(=O)CSC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0	CC(=O)CSCC(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CSCC(=O)C
OpenEye OEToolkits 1.5.0	CC(=O)CSC[C@@H](C(=O)O)N
CACTVS 3.341	CC(=O)CSC[CH](N)C(O)=O

Name:

S-ACETONYLCYSTEINE

DrugBank:

DB03858

ZINC:

ZINC000006761318

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).