BioLiP

PDB

BioLiP

PDB CCD ID:

EPM

Number of entries in BioLiP:

Chemical formula:

C21 H41 N O3 S

InChI:

InChI=1S/C21H41NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)22-19(21(24)25)17-18-26-2/h19H,3-18H2,1-2H3,(H,22,23)(H,24,25)/t19-/m0/s1

InChIKey:

FCVASHHBGGKTGT-IBGZPJMESA-N

SMILES:

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

Name:

N-PALMITOYL-L-METHIONINE

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).