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- ChemComp-HFP: ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID -

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Basic information

EntryDatabase: PDB chemical components / ID: HFP
NameName: alpha-hydroxyfarnesylphosphonic acid

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Chemical information

Composition
Formula: C15H33O4P / Number of atoms: 53 / Formula weight: 308.394 / Formal charge: 0
Others

1qbq

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: HFP / Model coordinates PDB-ID: 1QBQ
History
Create componentJul 8, 1999
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / DrugBank / PubChem / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=P(O)(O)C(O)CC(CCCC(C)CCCC(C)C)C
CACTVS 3.341CC(C)CCC[CH](C)CCC[CH](C)C[CH](O)[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)CCCC(C)CC(O)P(=O)(O)O

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03IJNCEETVCWDDQB-KFWWJZLASA-N

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SYSTEMATIC NAME

ACDLabs 10.04[(1S,3R,7R)-1-hydroxy-3,7,11-trimethyldodecyl]phosphonic acid
OpenEye OEToolkits 1.5.0[(1S)-1-hydroxy-3,7,11-trimethyl-dodecyl]phosphonic acid

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PDB entries

Showing all 6 items

PDB-1n94:
Aryl Tetrahydropyridine Inhbitors of Farnesyltransferase: Glycine, Phenylalanine and Histidine Derivates

PDB-1n95:
Aryl Tetrahydrophyridine Inhbitors of Farnesyltranferase: Glycine, Phenylalanine and Histidine Derivatives

PDB-1n9a:
Farnesyltransferase complex with tetrahydropyridine inhibitors

PDB-1ni1:
Imidazole and cyanophenyl farnesyl transferase inhibitors

PDB-1nl4:
Crystal Structure of Rat Farnesyl Transferase in Complex With A Potent Biphenyl Inhibitor

PDB-1qbq:
STRUCTURE OF RAT FARNESYL PROTEIN TRANSFERASE COMPLEXED WITH A CVIM PEPTIDE AND ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID.

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