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BioLiP

PDB CCD ID: SCS
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O2 S2
InChI: InChI=1S/C5H11NO2S2/c1-2-9-10-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKey: YIMFYOCZTDBZJL-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCSSCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CCSSC[C@@H](C(=O)O)N
CACTVS 3.341CCSSC[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CSSCC
CACTVS 3.341CCSSC[CH](N)C(O)=O
Name:3-(ethyldisulfanyl)-L-alanine
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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