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BioLiP

PDB CCD ID: 060
Number of entries in BioLiP: 0
Chemical formula: C4 H9 N O2 S
InChI: InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey: IDIDJDIHTAOVLG-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CSC[C@@H](N)C(O)=O
CACTVS 3.385CSC[CH](N)C(O)=O
OpenEye OEToolkits 1.9.2CSCC(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)CSC
OpenEye OEToolkits 1.9.2CSC[C@H](C(=O)O)N
Name:S-methyl-D-cysteine
ZINC: ZINC000004429051
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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