CHEBI:85218 - (2S)-2-methylheptadecanoic acid

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ChEBI Name (2S)-2-methylheptadecanoic acid
ChEBI ID CHEBI:85218
ChEBI ASCII Name (2S)-2-methylheptadecanoic acid
Definition A methyl-branched fatty acid that is heptadecanoic (margaric) acid bearing a methyl substituent at position 2 (the S-enantiomer).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H36O2
Net Charge 0
Average Mass 284.47720
Monoisotopic Mass 284.27153
InChI InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)18(19)20/h17H,3-16H2,1-2H3,(H,19,20)/t17-/m0/s1
InChIKey IZUAKSAWRVFBPE-KRWDZBQOSA-N
SMILES CCCCCCCCCCCCCCC[C@H](C)C(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 (2S)-2-methylheptadecanoic acid (CHEBI:85218) has functional parent heptadecanoic acid (CHEBI:32365)
(2S)-2-methylheptadecanoic acid (CHEBI:85218) is a branched-chain saturated fatty acid (CHEBI:39417)
(2S)-2-methylheptadecanoic acid (CHEBI:85218) is a long-chain fatty acid (CHEBI:15904)
(2S)-2-methylheptadecanoic acid (CHEBI:85218) is a methyl-branched fatty acid (CHEBI:62499)
(2S)-2-methylheptadecanoic acid (CHEBI:85218) is conjugate acid of (2S)-2-methylheptadecanoate (CHEBI:84269)
Incoming (2S)-2-methylheptadecanoate (CHEBI:84269) is conjugate base of (2S)-2-methylheptadecanoic acid (CHEBI:85218)
IUPAC Name
(2S)-2-methylheptadecanoic acid
Last Modified
13 March 2015