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

A1L5I

Summary
Name:[(2~{S})-2-[(~{E})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] octadec-9-enoate
Formula:C39 H72 O5
Formal charge:0
Formula weight:620.986 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S})-2-[(~{E})-octadec-9-enoyl]oxy-3-oxidanyl-propyl] octadec-9-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3/b19-17?,20-18+/t37-/m0/s1
InChIKeyInChI1.06AFSHUZFNMVJNKX-SKNMGDSLSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC\C=C\CCCCCCCC
SMILESCACTVS3.385CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC=CCCCCCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C/CCCCCCCC
SMILESOpenEye OEToolkits2.0.7CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC=CCCCCCCCC

248335

PDB entries from 2026-01-28

PDB statisticsPDBj update infoContact PDBjnumon