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BioLiP

PDB CCD ID: SHC
Number of entries in BioLiP: 0
Chemical formula: C9 H19 N O2 S
InChI: InChI=1S/C9H19NO2S/c1-2-3-4-5-6-13-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1
InChIKey: NALKEWMBCJKRLB-QMMMGPOBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCSC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CCCCCCSCC(C(=O)O)N
CACTVS 3.341CCCCCCSC[CH](N)C(O)=O
CACTVS 3.341CCCCCCSC[C@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CSCCCCCC
Name:S-HEXYLCYSTEINE
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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