3-ethyl-3-methyl-tridecanoic acid (CHEBI:179739)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-ethyl-3-methyl-tridecanoic acid

ChEBI ID	CHEBI:179739

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H32O2

Net Charge

Average Mass

256.430

Monoisotopic Mass

256.24023

InChI

InChI=1S/C16H32O2/c1-4-6-7-8-9-10-11-12-13-16(3,5-2)14-15(17)18/h4-14H2,1-3H3,(H,17,18)

InChIKey

JZQUUIPHTDDVNQ-UHFFFAOYSA-N

SMILES

OC(=O)CC(CCCCCCCCCC)(CC)C

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	3-ethyl-3-methyl-tridecanoic acid (CHEBI:179739) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name

3-ethyl-3-methyltridecanoic acid