BioLiP

PDB

BioLiP

PDB CCD ID:

EJA

Number of entries in BioLiP:

Chemical formula:

C6 H10 N2 O5 S

InChI:

InChI=1S/C6H10N2O5S/c7-3(6(11)12)2-14-4(8-13)1-5(9)10/h3,13H,1-2,7H2,(H,9,10)(H,11,12)/b8-4-/t3-/m0/s1

InChIKey:

JQASJBGYGONXEA-TVLFVMPKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C([C@@H](C(=O)O)N)S/C(=N\O)/CC(=O)O
CACTVS 3.385	N[CH](CSC(CC(O)=O)=NO)C(O)=O
CACTVS 3.385	N[C@@H](CS\C(CC(O)=O)=N/O)C(O)=O
ACDLabs 12.01	NC(CS\C(=N/O)CC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.6	C(C(C(=O)O)N)SC(=NO)CC(=O)O

Name:

S-[(1Z)-2-carboxy-N-hydroxyethanimidoyl]-L-cysteine

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).