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CHEBI:68513 - 3,4-dihydroxy-4-methylhexadecanoic acid

ChEBI IDCHEBI:68513
ChEBI Name3,4-dihydroxy-4-methylhexadecanoic acid
Stars
DefinitionA dihydroxy monocarboxylic acid that consists of palmitic acid bearing two hydroxy substituents at positions 3 and 4 and a methyl substituent at position 4.
Last Modified12 May 2015
Submitternamrata
DownloadsMolfile
FormulaC17H34O4
Net Charge0
Average Mass302.455
Monoisotopic Mass302.24571
SMILESCCCCCCCCCCCCC(C)(O)C(O)CC(=O)O
InChIInChI=1S/C17H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-17(2,21)15(18)14-16(19)20/h15,18,21H,3-14H2,1-2H3,(H,19,20)
InChIKeyNACNPFXTZNCJJY-UHFFFAOYSA-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)
3,4-dihydroxy-4-methylhexadecanoic acid (CHEBI:68513) has functional parent hexadecanoic acid (CHEBI:15756)
3,4-dihydroxy-4-methylhexadecanoic acid (CHEBI:68513) is a 3-hydroxy fatty acid (CHEBI:59845)
3,4-dihydroxy-4-methylhexadecanoic acid (CHEBI:68513) is a branched-chain fatty acid (CHEBI:35819)
3,4-dihydroxy-4-methylhexadecanoic acid (CHEBI:68513) is a dihydroxy monocarboxylic acid (CHEBI:35972)
3,4-dihydroxy-4-methylhexadecanoic acid (CHEBI:68513) is a long-chain fatty acid (CHEBI:15904)
Incoming Relation(s)
glomosporin (CHEBI:65975) has functional parent 3,4-dihydroxy-4-methylhexadecanoic acid (CHEBI:68513)
IUPAC Name 
2,5-dideoxy-4-C-dodecylpentonic acid
Synonym  Source
3,4-dihydroxy-4-methylpalmitic acidChEBI