BioLiP

PDB

BioLiP

PDB CCD ID:

MCS

Number of entries in BioLiP:

Chemical formula:

C6 H9 N O5 S

InChI:

InChI=1S/C6H9NO5S/c7-3(6(11)12)2-13-5(10)1-4(8)9/h3H,1-2,7H2,(H,8,9)(H,11,12)/t3-/m0/s1

InChIKey:

SAKROQSNEZIDKV-VKHMYHEASA-N

SMILES:

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

Name:

MALONYL CYSTEINE

ZINC:

ZINC000058638942

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).