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

ChEBI IDCHEBI:85218
ChEBI Name(2S)-2-methylheptadecanoic acid
Stars
ASCII Name(2S)-2-methylheptadecanoic acid
DefinitionA methyl-branched fatty acid that is heptadecanoic (margaric) acid bearing a methyl substituent at position 2 (the S-enantiomer).
Last Modified13 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC18H36O2
Net Charge0
Average Mass284.484
Monoisotopic Mass284.27153
SMILESCCCCCCCCCCCCCCC[C@H](C)C(=O)O
InChIInChI=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
InChIKeyIZUAKSAWRVFBPE-KRWDZBQOSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(2S)-2-methylheptadecanoate (CHEBI:84269) is conjugate base of (2S)-2-methylheptadecanoic acid (CHEBI:85218)
IUPAC Name 
(2S)-2-methylheptadecanoic acid