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BioLiP

PDB CCD ID: 6KM
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O3 S
InChI: InChI=1S/C6H11NO3S/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1
InChIKey: PFQQQKYLKYCDDY-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CCC(=O)SC[C@@H](C(=O)O)N
CACTVS 3.385CCC(=O)SC[CH](N)C(O)=O
CACTVS 3.385CCC(=O)SC[C@H](N)C(O)=O
ACDLabs 12.01NC(CSC(CC)=O)C(=O)O
OpenEye OEToolkits 2.0.4CCC(=O)SCC(C(=O)O)N
Name:S-propanoyl-L-cysteine
ZINC: ZINC000238222266
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)(download the PDF file).
  • 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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