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BioLiP

PDB CCD ID: 08P
Number of entries in BioLiP: 2
Chemical formula: C5 H7 N O5 S
InChI: InChI=1S/C5H7NO5S/c7-3(5(10)11)6-2(1-12)4(8)9/h2,12H,1H2,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1
InChIKey: JOFZGZRXVKSFKN-UWTATZPHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C([C@H](C(=O)O)NC(=O)C(=O)O)S
CACTVS 3.370OC(=O)[CH](CS)NC(=O)C(O)=O
CACTVS 3.370OC(=O)[C@@H](CS)NC(=O)C(O)=O
ACDLabs 12.01O=C(C(=O)O)NC(C(=O)O)CS
OpenEye OEToolkits 1.7.2C(C(C(=O)O)NC(=O)C(=O)O)S
Name:N-(carboxycarbonyl)-D-cysteine;
N-oxalyl-D-cysteine
ChEMBL: CHEMBL2030868
ZINC: ZINC000084758366
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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