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BioLiP

PDB CCD ID: GD8
Number of entries in BioLiP: 4
Chemical formula: C7 H17 O2 P
InChI: InChI=1S/C7H17O2P/c1-6(7(2,3)4)9-10(5)8/h6,10H,1-5H3/t6-/m1/s1
InChIKey: QZUGWOMGKDLYKO-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(OC(C)C(C)(C)C)C
CACTVS 3.341C[C@@H](O[P@@H](C)=O)C(C)(C)C
OpenEye OEToolkits 1.5.0CC(C(C)(C)C)OP(=O)C
CACTVS 3.341C[CH](O[PH](C)=O)C(C)(C)C
OpenEye OEToolkits 1.5.0C[C@H](C(C)(C)C)O[P@H](=O)C
Name:(1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE
DrugBank: DB07821
ZINC: ZINC000038494900
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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