BioLiP

PDB

BioLiP

PDB CCD ID:

GT9

Number of entries in BioLiP:

Chemical formula:

C12 H25 N O2 S

InChI:

InChI=1S/C12H25NO2S/c1-2-3-4-5-6-7-8-9-16-10-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m0/s1

InChIKey:

NYQGIUKEPYHDNY-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCSCC(C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CSCCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCSC[C@@H](C(=O)O)N
CACTVS 3.341	CCCCCCCCCSC[CH](N)C(O)=O
CACTVS 3.341	CCCCCCCCCSC[C@H](N)C(O)=O

Name:

S-NONYL-CYSTEINE

DrugBank:

DB07849

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).