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BioLiP

PDB CCD ID: 2RP
Number of entries in BioLiP: 4
Chemical formula: C5 H12 O
InChI: InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m1/s1
InChIKey: JYVLIDXNZAXMDK-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCC[CH](C)O
ACDLabs 10.04OC(C)CCC
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCC[C@@H](C)O
OpenEye OEToolkits 1.5.0CCCC(C)O
Name:(2R)-pentan-2-ol
ZINC: ZINC000002504420
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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