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BioLiP

PDB CCD ID: HFP
Number of entries in BioLiP: 8
Chemical formula: C15 H33 O4 P
InChI: InChI=1S/C15H33O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h12-16H,5-11H2,1-4H3,(H2,17,18,19)/t13-,14-,15+/m1/s1
InChIKey: IJNCEETVCWDDQB-KFWWJZLASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)C[CH](O)[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)C(O)CC(CCCC(C)CCCC(C)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)CCC[C@@H](C)C[C@@H](O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)CCCC(C)CC(O)P(=O)(O)O
Name:ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID
DrugBank: DB07895
ZINC: ZINC000006762173
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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