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BioLiP

PDB CCD ID: 1CO
Number of entries in BioLiP: 3
Chemical formula: C6 H12 O3 S
InChI: InChI=1S/C6H12O3S/c1-6(9,2-3-10)4-5(7)8/h9-10H,2-4H2,1H3,(H,7,8)/t6-/m1/s1
InChIKey: MCHPXVGJHBKMNR-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[C](O)(CCS)CC(O)=O
ACDLabs 12.01O=C(O)CC(O)(C)CCS
OpenEye OEToolkits 1.7.6C[C@@](CCS)(CC(=O)O)O
CACTVS 3.370C[C@@](O)(CCS)CC(O)=O
OpenEye OEToolkits 1.7.6CC(CCS)(CC(=O)O)O
Name:(3S)-3-hydroxy-3-methyl-5-sulfanylpentanoic acid
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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