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BioLiP Library

PDB CCD ID: 78I
Number of entries in BioLiP: 4
Chemical formula: C5 H8 O4
InChI: InChI=1S/C5H8O4/c6-3(4(7)8)5(9)1-2-5/h3,6,9H,1-2H2,(H,7,8)/t3-/m0/s1
InChIKey: XIFMBZFYSIRQIK-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC1(C(C(=O)O)O)O
OpenEye OEToolkits 2.0.7C1CC1([C@H](C(=O)O)O)O
CACTVS 3.385O[CH](C(O)=O)C1(O)CC1
CACTVS 3.385O[C@@H](C(O)=O)C1(O)CC1
Name:(2R)-2-oxidanyl-2-(1-oxidanylcyclopropyl)ethanoic 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)(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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