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BioLiP Library

PDB CCD ID: UE3
Number of entries in BioLiP: 1
Chemical formula: C5 H10 O3
InChI: InChI=1S/C5H10O3/c1-2-3-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m1/s1
InChIKey: JRHWHSJDIILJAT-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCC[CH](O)C(O)=O
OpenEye OEToolkits 2.0.7CCCC(C(=O)O)O
OpenEye OEToolkits 2.0.7CCC[C@H](C(=O)O)O
CACTVS 3.385CCC[C@@H](O)C(O)=O
Name:(2R)-2-oxidanylpentanoic acid;
(2R)-2-hydroxypentanoic acid
ZINC: ZINC000000394028
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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