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A1H2K

Summary
Name:7.10 monoacylglycerol (S-form)
Synonyms:[(2S)-2,3-bis(oxidanyl)propyl] (E)-heptadec-7-enoate
Formula:C20 H38 O4
Formal charge:0
Formula weight:342.513 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7[(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-heptadec-7-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)24-18-19(22)17-21/h10-11,19,21-22H,2-9,12-18H2,1H3/b11-10+/t19-/m0/s1
InChIKeyInChI1.06XTALOCBNHVPVKU-VYENPZKTSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCCC/C=C/CCCCCC(=O)OC[C@@H](O)CO
SMILESCACTVS3.385CCCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCCCCCC/C=C/CCCCCC(=O)OC[C@H](CO)O
SMILESOpenEye OEToolkits2.0.7CCCCCCCCCC=CCCCCCC(=O)OCC(CO)O

219869

PDB entries from 2024-05-15

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