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

TJR

Summary
Name:[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate
Formula:C21 H43 O7 P
Formal charge:0
Formula weight:438.536 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{R})-2-oxidanyl-3-phosphonooxy-propyl] octadecanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)/t20-/m1/s1
InChIKeyInChI1.06LAYXSTYJRSVXIH-HXUWFJFHSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P](O)(O)=O
SMILESCACTVS3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)O

220760

PDB entries from 2024-06-05

PDB statisticsPDBj update infoContact PDBjnumon