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02U

Summary
Name:14-methylhexadec-9-enoic acid
Formula:C17 H32 O2
Formal charge:0
Formula weight:268.435 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.0114-methylhexadec-9-enoic acid
OpenEye OEToolkits1.7.214-methylhexadec-9-enoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)CCCCCCC/C=C/CCCC(C)CC
InChIInChI1.03InChI=1S/C17H32O2/c1-3-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19/h6,8,16H,3-5,7,9-15H2,1-2H3,(H,18,19)
InChIKeyInChI1.03JSOOUDKFWVPPEF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370CCC(C)CCCC=CCCCCCCCC(O)=O
SMILESCACTVS3.370CCC(C)CCCC=CCCCCCCCC(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.2CCC(C)CCCC=CCCCCCCCC(=O)O
SMILESOpenEye OEToolkits1.7.2CCC(C)CCCC=CCCCCCCCC(=O)O

217705

PDB entries from 2024-03-27

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