CHEBI:89676 - Isopropyl dodecanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Isopropyl dodecanoate
ChEBI ID CHEBI:89676
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:88621
Supplier Information
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Formulae C13H26O2
C15H30O2
C15H30O2
Net Charge 0
Average Mass 242.398
Monoisotopic Mass 242.225
InChI InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-13-15(16)17-14(2)3/h14H,4-13H2,1-3H3
InChIKey UJPPXNXOEVDSRW-UHFFFAOYSA-N
SMILES C(CCCCCCCCC(OC(C)C)=O)CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: PubMed
ChEBI Ontology
Outgoing Isopropyl dodecanoate (CHEBI:89676) has functional parent dodecanoic acid (CHEBI:30805)
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 Sources
Isopropyl dodecanoate HMDB
Isopropyl laurate HMDB
propan-2-yl decanoate HMDB
propan-2-yl dodecanoate HMDB
Manual Xrefs Databases
HMDB0059820 HMDB
HMDB0061829 HMDB
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Citations Waiting for Citations Types Sources
20730965 PubMed citation Europe PMC
20809147 PubMed citation Europe PMC
21841907 PubMed citation Europe PMC
22174797 PubMed citation Europe PMC
23941649 PubMed citation Europe PMC
24085780 PubMed citation Europe PMC
24421258 PubMed citation Europe PMC
Last Modified
09 March 2018