BioLiP

PDB

BioLiP

PDB CCD ID:

MT2

Number of entries in BioLiP:

Chemical formula:

C7 H16 N O2 S

InChI:

InChI=1S/C7H15NO2S/c1-3-11(2)5-4-6(8)7(9)10/h6H,3-5,8H2,1-2H3/p+1/t6-,11+/m0/s1

InChIKey:

CHUUUZMZGJUUGS-UPONEAKYSA-O

SMILES:

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

Name:

[(3S)-3-amino-3-carboxypropyl](ethyl)methylsulfonium;
S-ethyl-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).