Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

HFP

Summary
Name:ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID
Formula:C15 H33 O4 P
Formal charge:0
Formula weight:308.394 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(1S,3R,7R)-1-hydroxy-3,7,11-trimethyldodecyl]phosphonic acid
OpenEye OEToolkits1.5.0[(1S)-1-hydroxy-3,7,11-trimethyl-dodecyl]phosphonic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)C(O)CC(CCCC(C)CCCC(C)C)C
SMILES_CANONICALCACTVS3.341CC(C)CCC[C@@H](C)CCC[C@@H](C)C[C@@H](O)[P](O)(O)=O
SMILESCACTVS3.341CC(C)CCC[CH](C)CCC[CH](C)C[CH](O)[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O
SMILESOpenEye OEToolkits1.5.0CC(C)CCCC(C)CCCC(C)CC(O)P(=O)(O)O
InChIInChI1.03InChI=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
InChIKeyInChI1.03IJNCEETVCWDDQB-KFWWJZLASA-N

227111

건을2024-11-06부터공개중

PDB statisticsPDBj update infoContact PDBjnumon