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BioLiP

PDB CCD ID: CAY
Number of entries in BioLiP: 0
Chemical formula: C5 H9 N O4 S
InChI: InChI=1/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/f/h7,9H
InChIKey: GBFLZEXEOZUWRN-IQTGVIGADU
SMILES:
SoftwareSMILES
CACTVS 3.341N[CH](CSCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)SCC(=O)O
ACDLabs 10.04O=C(O)C(N)CSCC(=O)O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)SCC(=O)O
CACTVS 3.341N[C@@H](CSCC(O)=O)C(O)=O
Name:CARBOXYMETHYLENECYSTEINE
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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