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A1L8M

Summary
Name:[(2S)-1-oxidanyl-3-[(E)-tetradec-9-enoyl]oxy-propan-2-yl] (Z)-pentadec-9-enoate
Formula:C32 H58 O5
Formal charge:0
Formula weight:522.8 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S})-1-oxidanyl-3-[(~{E})-tetradec-9-enoyl]oxy-propan-2-yl] (~{Z})-pentadec-9-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C32H58O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32(35)37-30(28-33)29-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h10-13,30,33H,3-9,14-29H2,1-2H3/b12-10+,13-11-/t30-/m0/s1
InChIKeyInChI1.06BXDNXAULBWUASM-MBCKKLRHSA-N
SMILES_CANONICALCACTVS3.385CCCCC\C=C/CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C/CCCC
SMILESCACTVS3.385CCCCCC=CCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCCCCC=CCCCC
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C/CCCC
SMILESOpenEye OEToolkits2.0.7CCCCCC=CCCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCC=CCCCC

249697

PDB entries from 2026-02-25

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