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BioLiP

PDB CCD ID: SGU
Number of entries in BioLiP: 1
Chemical formula: C5 H10 O3
InChI: InChI=1S/C5H10O3/c1-4-2-3-5(6,7)8-4/h4,6-7H,2-3H2,1H3/t4-/m0/s1
InChIKey: MGKWNPVXYGZJRN-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H]1CCC(O1)(O)O
ACDLabs 12.01CC1CCC(O)(O)O1
OpenEye OEToolkits 2.0.7CC1CCC(O1)(O)O
CACTVS 3.385C[C@H]1CCC(O)(O)O1
CACTVS 3.385C[CH]1CCC(O)(O)O1
Name:(5S)-5-methyloxolane-2,2-diol
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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