Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

YML

Summary
Name:[(3R,4S,5S,7R)-4,8-DIHYDROXY-3,5,7-TRIMETHYL-2-OXOOCTYL]PHOSPHONIC ACID
Formula:C11 H23 O5 P
Formal charge:0
Formula weight:266.271 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(R)-[(3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctyl]phosphinic acid
OpenEye OEToolkits1.5.0[(3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxo-octyl]phosphinic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(C(C(O)C(C)CC(C)CO)C)CP(=O)O
SMILES_CANONICALCACTVS3.341C[C@@H](CO)C[C@H](C)[C@H](O)[C@@H](C)C(=O)C[P@@H](O)=O
SMILESCACTVS3.341C[CH](CO)C[CH](C)[CH](O)[CH](C)C(=O)C[PH](O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@H](C[C@H](C)[C@@H]([C@@H](C)C(=O)C[P@H](=O)O)O)CO
SMILESOpenEye OEToolkits1.5.0CC(CC(C)C(C(C)C(=O)CP(=O)O)O)CO
InChIInChI1.03InChI=1S/C11H23O5P/c1-7(5-12)4-8(2)11(14)9(3)10(13)6-17(15)16/h7-9,11-12,14,17H,4-6H2,1-3H3,(H,15,16)/t7-,8+,9+,11+/m1/s1
InChIKeyInChI1.03OMENZZONRIXNPG-HJGDQZAQSA-N

246704

PDB entries from 2025-12-24

PDB statisticsPDBj update infoContact PDBjnumon