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CHEBI:79249 - (3R,16R)-3,16-dihydroxymargaric acid

Default Structure
ChEBI IDCHEBI:79249
ChEBI Name(3R,16R)-3,16-dihydroxymargaric acid
Stars
ASCII Name(3R,16R)-3,16-dihydroxymargaric acid
DefinitionAn (ω−1)-hydroxy fatty acid that is (16R)-16-hydroxymargaric acid ((16R)-16-hydroxyheptadecanoic acid) in which the 3-pro-R hydrogen is replaced by a hydroxy group.
Last Modified23 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC17H34O4
Net Charge0
Average Mass302.455
Monoisotopic Mass302.24571
SMILESC[C@@H](O)CCCCCCCCCCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C17H34O4/c1-15(18)12-10-8-6-4-2-3-5-7-9-11-13-16(19)14-17(20)21/h15-16,18-19H,2-14H2,1H3,(H,20,21)/t15-,16-/m1/s1
InChIKeyZUAQRTYBJMLPLN-HZPDHXFCSA-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)
(3R,16R)-3,16-dihydroxymargaric acid (CHEBI:79249) has functional parent (16R)-16-hydroxymargaric acid (CHEBI:79001)
(3R,16R)-3,16-dihydroxymargaric acid (CHEBI:79249) is a (ω−1)-hydroxy fatty acid (CHEBI:78954)
(3R,16R)-3,16-dihydroxymargaric acid (CHEBI:79249) is a 3-hydroxy carboxylic acid (CHEBI:61355)
(3R,16R)-3,16-dihydroxymargaric acid (CHEBI:79249) is a dihydroxy monocarboxylic acid (CHEBI:35972)
(3R,16R)-3,16-dihydroxymargaric acid (CHEBI:79249) is a long-chain fatty acid (CHEBI:15904)
Incoming Relation(s)
bhas#30 (CHEBI:79235) has functional parent (3R,16R)-3,16-dihydroxymargaric acid (CHEBI:79249)
ibha#30 (CHEBI:79360) has functional parent (3R,16R)-3,16-dihydroxymargaric acid (CHEBI:79249)
IUPAC Name 
(3R,16R)-3,16-dihydroxyheptadecanoic acid
Synonyms  Source
(R,R)-3,16-dihydroxyheptadecanoic acidChEBI
(R,R)-3,16-dihydroxymargaric acidChEBI