BioLiP

PDB

BioLiP

PDB CCD ID:

QM8

Number of entries in BioLiP:

Chemical formula:

C6 H13 N O2 S

InChI:

InChI=1S/C6H13NO2S/c7-5(6(8)9)3-1-2-4-10/h5,10H,1-4,7H2,(H,8,9)/t5-/m0/s1

InChIKey:

HBMWPJLCTYKAGL-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	C(CCS)CC(C(=O)O)N
CACTVS 3.385	N[CH](CCCCS)C(O)=O
CACTVS 3.385	N[C@@H](CCCCS)C(O)=O
OpenEye OEToolkits 3.1.0.0	C(CCS)C[C@@H](C(=O)O)N

Name:

6-Sulfanyl-L-norleucine;
(2S)-2-azanyl-6-sulfanyl-hexanoic acid;
6-mercaptonorleucine

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).