BioLiP

PDB

BioLiP

PDB CCD ID:

QMB

Number of entries in BioLiP:

Chemical formula:

C5 H11 N O2 S

InChI:

InChI=1S/C5H11NO2S/c6-4(5(7)8)2-1-3-9/h4,9H,1-3,6H2,(H,7,8)/t4-/m0/s1

InChIKey:

TUMGFDAVJXBHMU-BYPYZUCNSA-N

SMILES:

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

Name:

5-Mercapto-norvaline;
(2S)-2-azanyl-5-sulfanyl-pentanoic 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).