isopropyl dodecanoate (CHEBI:89676)

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ChEBI Name	isopropyl dodecanoate

ChEBI ID	CHEBI:89676

Definition	A fatty acid ester obtained by the formal condensation of carboxy group of dodecanoic acid with propan-2-ol. A metabolite found in human saliva.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:88621

Supplier Information

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Formula

C15H30O2

Net Charge

Average Mass

242.403

Monoisotopic Mass

242.22458

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

CCCCCCCCCCCC(=O)OC(C)C

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). Tentative identification. See: PubMed
Homo sapiens (NCBI:txid9606)	Found in saliva (UBERON:0001836). See: PubMed

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	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	Sources
1-methylethyl dodecanoate	ChemIDplus
dodecanoic acid methyl ethyl ester	NIST Chemistry WebBook
isopropyl dodecanoate	NIST Chemistry WebBook
isopropyl laurate	ChemIDplus

Last Modified

28 May 2021