BioLiP

PDB

BioLiP

PDB CCD ID:

CYD

Number of entries in BioLiP:

Chemical formula:

C9 H16 N2 O5 S

InChI:

InChI=1S/C9H16N2O5S/c10-6(8(13)14)2-1-5(12)3-17-4-7(11)9(15)16/h6-7H,1-4,10-11H2,(H,13,14)(H,15,16)/t6-,7-/m0/s1

InChIKey:

HSTBQJNXRSCXIP-BQBZGAKWSA-N

SMILES:

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

Name:

2-AMINO-6-(CYSTEIN-S-YL)-5-OXO-HEXANOIC ACID

ZINC:

ZINC000006620286

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).