CHEBI:141061 - dodecyl dodecanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name dodecyl dodecanoate
ChEBI ID CHEBI:141061
Definition A dodecanoate ester resulting from the formal condensation of the carboxy group of dodecanoic acid with the hydroxy group of dodecan-1-ol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information ChemicalBook:CB6263009, eMolecules:6192796, ZINC000100060306
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Formula C24H48O2
Net Charge 0
Average Mass 368.638
Monoisotopic Mass 368.36543
InChI InChI=1S/C24H48O2/c1-3-5-7-9-11-13-15-17-19-21-23-26-24(25)22-20-18-16-14-12-10-8-6-4-2/h3-23H2,1-2H3
InChIKey CYUUZGXOQDCCGH-UHFFFAOYSA-N
SMILES C(CCCCCCCC)CCC(OCCCCCCCCCCCC)=O
Metabolite of Species Details
Oryza sativa (NCBI:txid4530) See: MetaboLights Study
ChEBI Ontology
Outgoing dodecyl dodecanoate (CHEBI:141061) has functional parent dodecan-1-ol (CHEBI:28878)
dodecyl dodecanoate (CHEBI:141061) is a dodecanoate ester (CHEBI:87659)
IUPAC Name
dodecyl dodecanoate
Synonyms Sources
dodecanyl dodecanoate LIPID MAPS
dodecyl laurate NIST Chemistry WebBook
lauryl laurate ChEBI
WE(12:0/12:0) LIPID MAPS
Manual Xref Database
LMFA07010031 LIPID MAPS
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Registry Numbers Types Sources
13945-76-1 CAS Registry Number NIST Chemistry WebBook
1713328 Reaxys Registry Number Reaxys
Citations Waiting for Citations
Last Modified
08 November 2024