BioLiP

PDB

BioLiP

PDB CCD ID:

M2L

Number of entries in BioLiP:

Chemical formula:

C7 H16 N2 O2 S

InChI:

InChI=1S/C7H16N2O2S/c1-9(2)3-4-12-5-6(8)7(10)11/h6H,3-5,8H2,1-2H3,(H,10,11)/t6-/m0/s1

InChIKey:

XLXDHBGRMHYTIO-LURJTMIESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CN(C)CCSCC(C(=O)O)N
CACTVS 3.341	CN(C)CCSC[C@H](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CSCCN(C)C
OpenEye OEToolkits 1.5.0	CN(C)CCSC[C@@H](C(=O)O)N
CACTVS 3.341	CN(C)CCSC[CH](N)C(O)=O

Name:

(2R)-2-amino-3-(2-dimethylaminoethylsulfanyl)propanoic acid

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).