CHEBI:84878 - 20-methyldocosanoic acid

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ChEBI Name 20-methyldocosanoic acid
ChEBI ID CHEBI:84878
Definition A methyl-branched fatty acid that is docosanoic acid (behenic acid) substituted by a methyl group at position 20.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H46O2
Net Charge 0
Average Mass 354.61010
Monoisotopic Mass 354.34978
InChI InChI=1S/C23H46O2/c1-3-22(2)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23(24)25/h22H,3-21H2,1-2H3,(H,24,25)
InChIKey MZRXKFZYUOFQRH-UHFFFAOYSA-N
SMILES CCC(C)CCCCCCCCCCCCCCCCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 20-methyldocosanoic acid (CHEBI:84878) has functional parent docosanoic acid (CHEBI:28941)
20-methyldocosanoic acid (CHEBI:84878) is a branched-chain saturated fatty acid (CHEBI:39417)
20-methyldocosanoic acid (CHEBI:84878) is a long-chain fatty acid (CHEBI:15904)
20-methyldocosanoic acid (CHEBI:84878) is a methyl-branched fatty acid (CHEBI:62499)
IUPAC Name
20-methyldocosanoic acid
Synonym Source
20-methylbehenic acid ChEBI
Manual Xref Database
LMFA01020020 LIPID MAPS
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Registry Number Type Source
1727734 Reaxys Registry Number Reaxys
Last Modified
18 February 2015