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

QGD

Summary
Name:O-{(R)-hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine
Formula:C40 H80 N O9 P
Formal charge:0
Formula weight:750.038 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01O-{(R)-hydroxy[(2R)-3-(icosyloxy)-2-(tetradecanoyloxy)propoxy]phosphoryl}-L-serine
OpenEye OEToolkits2.0.7(2~{S})-2-azanyl-3-[[(2~{R})-3-icosoxy-2-tetradecanoyloxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(O)(C(COP(OCC(COCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC)(=O)O)N)=O
InChIInChI1.03InChI=1S/C40H80NO9P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-47-34-37(35-48-51(45,46)49-36-38(41)40(43)44)50-39(42)32-30-28-26-24-22-14-12-10-8-6-4-2/h37-38H,3-36,41H2,1-2H3,(H,43,44)(H,45,46)/t37-,38+/m1/s1
InChIKeyInChI1.03FQGGGDDJZMNTTN-AMAPPZPBSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCCCCCCCCCCCCCOC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCC
SMILESCACTVS3.385CCCCCCCCCCCCCCCCCCCCOC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCC

219869

PDB entries from 2024-05-15

PDB statisticsPDBj update infoContact PDBjnumon