BioLiP

PDB

BioLiP

PDB CCD ID:

CXM

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O4 S

InChI:

InChI=1S/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

InChIKey:

LWQBAQJPCYBWJQ-BYPYZUCNSA-N

SMILES:

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

Name:

N-CARBOXYMETHIONINE

DrugBank:

DB02899

ZINC:

ZINC000035264110

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).