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79M

Summary
Name:(2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate
Synonyms:[(2R)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate
Formula:C19 H36 O4
Formal charge:0
Formula weight:328.487 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-2,3-dihydroxypropyl (7Z)-hexadec-7-enoate
OpenEye OEToolkits1.9.2[(2R)-2,3-bis(oxidanyl)propyl] (Z)-hexadec-7-enoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC(O)CO)CCCCC\C=C/CCCCCCCC
InChIInChI1.03InChI=1S/C19H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h9-10,18,20-21H,2-8,11-17H2,1H3/b10-9-/t18-/m1/s1
InChIKeyInChI1.03OWGMAJRKMYGYBQ-HJCTWCACSA-N
SMILES_CANONICALCACTVS3.385CCCCCCCC\C=C/CCCCCC(=O)OC[C@H](O)CO
SMILESCACTVS3.385CCCCCCCCC=CCCCCCC(=O)OC[CH](O)CO
SMILES_CANONICALOpenEye OEToolkits1.9.2CCCCCCCC/C=C\CCCCCC(=O)OC[C@@H](CO)O
SMILESOpenEye OEToolkits1.9.2CCCCCCCCC=CCCCCCC(=O)OCC(CO)O

222415

PDB entries from 2024-07-10

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