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CHEBI:79244 - (3R,12R)-3,12-dihydroxytridecanoic acid

ChEBI IDCHEBI:79244
ChEBI Name(3R,12R)-3,12-dihydroxytridecanoic acid
Stars
ASCII Name(3R,12R)-3,12-dihydroxytridecanoic acid
DefinitionAn (ω−1)-hydroxy fatty acid that is (12R)-12-hydroxytridecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.
Last Modified23 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC13H26O4
Net Charge0
Average Mass246.347
Monoisotopic Mass246.18311
SMILESC[C@@H](O)CCCCCCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C13H26O4/c1-11(14)8-6-4-2-3-5-7-9-12(15)10-13(16)17/h11-12,14-15H,2-10H2,1H3,(H,16,17)/t11-,12-/m1/s1
InChIKeyHPJWICKUAUMTPD-VXGBXAGGSA-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,12R)-3,12-dihydroxytridecanoic acid (CHEBI:79244) has functional parent (12R)-12-hydroxytridecanoic acid (CHEBI:78980)
(3R,12R)-3,12-dihydroxytridecanoic acid (CHEBI:79244) is a (ω−1)-hydroxy fatty acid (CHEBI:78954)
(3R,12R)-3,12-dihydroxytridecanoic acid (CHEBI:79244) is a 3-hydroxy carboxylic acid (CHEBI:61355)
(3R,12R)-3,12-dihydroxytridecanoic acid (CHEBI:79244) is a dihydroxy monocarboxylic acid (CHEBI:35972)
(3R,12R)-3,12-dihydroxytridecanoic acid (CHEBI:79244) is a long-chain fatty acid (CHEBI:15904)
Incoming Relation(s)
bhas#22 (CHEBI:79231) has functional parent (3R,12R)-3,12-dihydroxytridecanoic acid (CHEBI:79244)
ibha#22 (CHEBI:79356) has functional parent (3R,12R)-3,12-dihydroxytridecanoic acid (CHEBI:79244)
IUPAC Name 
(3R,12R)-3,12-dihydroxytridecanoic acid
Synonym  Source
(R,R)-3,12-dihydroxytridecanoic acidChEBI