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BioLiP

PDB CCD ID: UCY
Number of entries in BioLiP: 4
Chemical formula: C8 H17 O2 P
InChI: InChI=1S/C8H17O2P/c1-8(2)6-4-5-7(8)10-11(3)9/h7,11H,4-6H2,1-3H3/t7-/m0/s1
InChIKey: GJIHMVVDUGLKHR-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(CCCC1OP(=O)C)C
OpenEye OEToolkits 2.0.7CC1(CCC[C@@H]1O[P@H](=O)C)C
CACTVS 3.385C[PH](=O)O[CH]1CCCC1(C)C
CACTVS 3.385C[P@H](=O)O[C@H]1CCCC1(C)C
ACDLabs 12.01CP(=O)OC1C(C)(CCC1)C
Name:(1S)-2,2-dimethylcyclopentyl (R)-methylphosphinate;
2,2-dimethylcyclopentyl methylphosphinate
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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