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BioLiP

PDB CCD ID: GT9
Number of entries in BioLiP: 0
Chemical formula: C12 H25 N O2 S
InChI: InChI=1S/C12H25NO2S/c1-2-3-4-5-6-7-8-9-16-10-11(13)12(14)15/h11H,2-10,13H2,1H3,(H,14,15)/t11-/m0/s1
InChIKey: NYQGIUKEPYHDNY-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCSCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CSCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCSC[C@@H](C(=O)O)N
CACTVS 3.341CCCCCCCCCSC[CH](N)C(O)=O
CACTVS 3.341CCCCCCCCCSC[C@H](N)C(O)=O
Name:S-NONYL-CYSTEINE
DrugBank: DB07849
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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