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BioLiP

PDB CCD ID: GJM
Number of entries in BioLiP: 9
Chemical formula: C6 H10 O3
InChI: InChI=1S/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1
InChIKey: MQAYFGXOFCEZRW-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)[CH]1CCCCO1
OpenEye OEToolkits 2.0.7C1CCOC(C1)C(=O)O
OpenEye OEToolkits 2.0.7C1CCO[C@@H](C1)C(=O)O
ACDLabs 12.01O=C(O)C1CCCCO1
CACTVS 3.385OC(=O)[C@@H]1CCCCO1
Name:(2S)-oxane-2-carboxylic 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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