CHEBI:136330 - 12-(octadecanoyloxy)octadecanoate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 12-(octadecanoyloxy)octadecanoate ChEBI ID CHEBI:136330 Definition A monocarboxylic acid anion that is the conjugate base of 12-(octadecanoyloxy)octadecanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C36H69O4 Net Charge -1 Average Mass 565.932 Monoisotopic Mass 565.52013 InChI InChI=1S/C36H70O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-22-25-29-33-36(39)40-34(30-26-8-6-4-2)31-27-23-20-18-19-21-24-28-32-35(37)38/h34H,3-33H2,1-2H3,(H,37,38)/p-1 InChIKey HCUIHIKPUYHKSQ-UHFFFAOYSA-M SMILES C(CCCCCCCC(=O)OC(CCCCCCCCCCC(=O)[O-])CCCCCC)CCCCCCCCC ChEBI Ontology Outgoing 12-(octadecanoyloxy)octadecanoate (CHEBI:136330) is a monocarboxylic acid anion (CHEBI:35757) 12-(octadecanoyloxy)octadecanoate (CHEBI:136330) is conjugate base of 12-(octadecanoyloxy)octadecanoic acid (CHEBI:137089) Incoming 12-(octadecanoyloxy)octadecanoic acid (CHEBI:137089) is conjugate acid of 12-(octadecanoyloxy)octadecanoate (CHEBI:136330) IUPAC Name 12-(octadecanoyloxy)octadecanoate Synonyms Sources 12-(stearoyloxy)stearate ChEBI 12-octadecanoyloxy-octadecanoate UniProt 12-SAHSA(1−) ChEBI FAHFA(18:0/12-O-18:0)(1−) SUBMITTER Citation Type Source 27509211 PubMed citation SUBMITTER Last Modified 19 May 2017