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

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ChEBI Name 3,4-dihydroxy-4-methylhexadecanoic acid
ChEBI ID CHEBI:68513
Definition A dihydroxy monocarboxylic acid that consists of palmitic acid bearing two hydroxy substituents at positions 3 and 4 and a methyl substituent at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C17H34O4
Net Charge 0
Average Mass 302.44950
Monoisotopic Mass 302.24571
InChI InChI=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)
InChIKey NACNPFXTZNCJJY-UHFFFAOYSA-N
SMILES CCCCCCCCCCCCC(C)(O)C(O)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 )
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ChEBI Ontology
Outgoing 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 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 acid ChEBI
Last Modified
12 May 2015