CHEBI:85059 - 3-methylundecanoic acid

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-methylundecanoic acid ChEBI ID CHEBI:85059 Definition A methyl-branched fatty acid that is undecanoic acid bearing a methyl substituent at position 3. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C12H24O2 Net Charge 0 Average Mass 200.31780 Monoisotopic Mass 200.17763 InChI InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-11(2)10-12(13)14/h11H,3-10H2,1-2H3,(H,13,14) InChIKey SHTJBHFHMAKAPT-UHFFFAOYSA-N SMILES CCCCCCCCC(C)CC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-methylundecanoic acid (CHEBI:85059) has functional parent undecanoic acid (CHEBI:32368) 3-methylundecanoic acid (CHEBI:85059) is a branched-chain saturated fatty acid (CHEBI:39417) 3-methylundecanoic acid (CHEBI:85059) is a medium-chain fatty acid (CHEBI:59554) 3-methylundecanoic acid (CHEBI:85059) is a methyl-branched fatty acid (CHEBI:62499) 3-methylundecanoic acid (CHEBI:85059) is conjugate acid of 3-methylundecanoate (CHEBI:84184) Incoming 3-methylundecanoyl-CoA (CHEBI:85075) has functional parent 3-methylundecanoic acid (CHEBI:85059) 3-methylundecanoate (CHEBI:84184) is conjugate base of 3-methylundecanoic acid (CHEBI:85059) IUPAC Name 3-methylundecanoic acid Synonyms Sources 3-methyl-undecanoic acid LIPID MAPS β-methylundecanoic acid ChEBI Manual Xref Database LMFA01020054 LIPID MAPS View more database links Registry Numbers Types Sources 1723161 Reaxys Registry Number Reaxys 65781-38-6 CAS Registry Number ChemIDplus 65781-38-6 CAS Registry Number NIST Chemistry WebBook Last Modified 03 March 2015