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BioLiP

PDB CCD ID: A8G
Number of entries in BioLiP: 1
Chemical formula: C4 H6 O3
InChI: InChI=1S/C4H6O3/c5-4(6)3-1-2-7-3/h3H,1-2H2,(H,5,6)/t3-/m0/s1
InChIKey: ZKCXAZCRQJSFTQ-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[C@@H]1CCO1
ACDLabs 12.01O=C(O)C1CCO1
OpenEye OEToolkits 2.0.7C1CO[C@@H]1C(=O)O
CACTVS 3.385OC(=O)[CH]1CCO1
OpenEye OEToolkits 2.0.7C1COC1C(=O)O
Name:(2S)-oxetane-2-carboxylic acid
ZINC: ZINC000016083111
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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