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CHEBI:89676 - isopropyl dodecanoate

ChEBI IDCHEBI:89676
ChEBI Nameisopropyl dodecanoate
Stars
DefinitionA fatty acid ester obtained by the formal condensation of carboxy group of dodecanoic acid with propan-2-ol. A metabolite found in human saliva.
Secondary ChEBI IDCHEBI:88621
Last Modified28 May 2021
DownloadsMolfile
FormulaC15H30O2
Net Charge0
Average Mass242.403
Monoisotopic Mass242.22458
SMILESCCCCCCCCCCCC(=O)OC(C)C
InChIInChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
InChIKeyUJPPXNXOEVDSRW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) PubMed (24421258)
saliva (UBERON:0001836) PubMed (20809147) Tentative identification.
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
isopropyl dodecanoate (CHEBI:89676) has functional parent dodecanoic acid (CHEBI:30805)
isopropyl dodecanoate (CHEBI:89676) has role human metabolite (CHEBI:77746)
isopropyl dodecanoate (CHEBI:89676) is a fatty acid ester (CHEBI:35748)
isopropyl dodecanoate (CHEBI:89676) is a isopropyl ester (CHEBI:35725)
IUPAC Name 
propan-2-yl dodecanoate
Synonyms  Source
1-methylethyl dodecanoateChemIDplus
dodecanoic acid methyl ethyl esterNIST Chemistry WebBook
isopropyl dodecanoateNIST Chemistry WebBook
isopropyl laurateChemIDplus
Manual XrefsDatabases
56SPDBeChem
HMDB0059820HMDB
LMFA07010674LIPID MAPS
US6955818Patent
Registry NumbersSources
CAS:10233-13-3ChemIDplus
CAS:10233-13-3NIST Chemistry WebBook
Citations