BioLiP

PDB

BioLiP

PDB CCD ID:

P1L

Number of entries in BioLiP:

Chemical formula:

C19 H37 N O3 S

InChI:

InChI=1S/C19H37NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h17H,2-16,20H2,1H3,(H,22,23)/t17-/m0/s1

InChIKey:

FRAMWPHPFIXRCP-KRWDZBQOSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)SCC(C(=O)O)N
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)SC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCC(=O)SC[C@@H](C(=O)O)N
ACDLabs 10.04	O=C(O)C(N)CSC(=O)CCCCCCCCCCCCCCC
CACTVS 3.341	CCCCCCCCCCCCCCCC(=O)SC[C@H](N)C(O)=O

Name:

S-PALMITOYL-L-CYSTEINE

DrugBank:

DB08342

ZINC:

ZINC000053683097

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).