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BioLiP

PDB CCD ID: CNR
Number of entries in BioLiP: 4
Chemical formula: C3 H5 Cl O2
InChI: InChI=1S/C3H5ClO2/c1-2(4)3(5)6/h2H,1H3,(H,5,6)/t2-/m0/s1
InChIKey: GAWAYYRQGQZKCR-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H](C(=O)O)Cl
CACTVS 3.341C[CH](Cl)C(O)=O
CACTVS 3.341C[C@H](Cl)C(O)=O
ACDLabs 10.04ClC(C(=O)O)C
OpenEye OEToolkits 1.5.0CC(C(=O)O)Cl
Name:(2S)-2-CHLOROPROPANOIC ACID;
2-MONOCHLOROPRAPANATE
ZINC: ZINC000002034501
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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