CHEBI:184308 - 5-DOXYL-stearic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 5-DOXYL-stearic acid
ChEBI ID CHEBI:184308
Stars This entity has been manually annotated by a third party.
Submitter Johannes Hunold (ORCID: 0000-0002-4378-6061)
Supplier Information
Download Molfile XML SDF
Formula C22H42NO4
Net Charge 0
Average Mass 384.574
Monoisotopic Mass 384.31138
InChI InChI=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)
InChIKey PYDZKXQLRMNQFK-UHFFFAOYSA-N
SMILES N1([O])C(OCC1(C)C)(CCCCCCCCCCCCC)CCCC(O)=O
ChEBI Ontology
Outgoing 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 5-DOXYL-stearic acid methyl ester (CHEBI:184309) has functional parent 5-DOXYL-stearic acid (CHEBI:184308)
Synonyms Sources
2-(3-carboxypropyl)-4,4-dimethyl-2-tridecyl-3-oxazolidinyloxy SUBMITTER
5-4,4-dimethyloxazolidine-N-oxyl stearic acid SUBMITTER
5-doxylstearic acid SUBMITTER
5-DSA SUBMITTER
5-nitroxystearate SUBMITTER
Registry Number Type Source
29545-48-0 CAS Registry Number SUBMITTER