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BioLiP

PDB CCD ID: CY4
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O3 S
InChI: InChI=1S/C7H13NO3S/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
InChIKey: QARMATOLSBVIJD-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCC(=O)SCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CSC(=O)CCC
CACTVS 3.341CCCC(=O)SC[C@H](N)C(O)=O
CACTVS 3.341CCCC(=O)SC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CCCC(=O)SC[C@@H](C(=O)O)N
Name:S-BUTYRYL-CYSTEIN
DrugBank: DB02160
ZINC: ZINC000006777921
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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