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CHEBI:184308 - 5-DOXYL-stearic acid

ChEBI IDCHEBI:184308
ChEBI Name5-DOXYL-stearic acid
Stars
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC22H42NO4
Net Charge0
Average Mass384.581
Monoisotopic Mass384.31138
SMILESCCCCCCCCCCCCCC1(CCCC(=O)O)OCC(C)(C)N1[O]
InChIInChI=1S/C22H42NO4/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(18-15-16-20(24)25)23(26)21(2,3)19-27-22/h4-19H2,1-3H3,(H,24,25)
InChIKeyPYDZKXQLRMNQFK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
5-DOXYL-stearic acid (CHEBI:184308) has functional parent 4,4-dimethyloxazolidine-N-oxyl (CHEBI:184305)
5-DOXYL-stearic acid (CHEBI:184308) has functional parent octadecanoic acid (CHEBI:28842)
5-DOXYL-stearic acid (CHEBI:184308) is a aminoxyls (CHEBI:39477)
Incoming Relation(s)
5-DOXYL-stearic acid methyl ester (CHEBI:184309) has functional parent 5-DOXYL-stearic acid (CHEBI:184308)
Synonyms  Source
5-4,4-dimethyloxazolidine-N-oxyl stearic acidSUBMITTER
5-doxylstearic acidSUBMITTER
5-DSASUBMITTER
5-nitroxystearateSUBMITTER
2-(3-carboxypropyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxySUBMITTER
Registry NumbersSources
CAS:29545-48-0SUBMITTER