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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3R,12R)-3,12-dihydroxytridecanoic acid
ChEBI ID CHEBI:79244
ChEBI ASCII Name (3R,12R)-3,12-dihydroxytridecanoic acid
Definition An (ω−1)-hydroxy fatty acid that is (12R)-12-hydroxytridecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C13H26O4
Net Charge 0
Average Mass 246.34310
Monoisotopic Mass 246.18311
InChI InChI=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
InChIKey HPJWICKUAUMTPD-VXGBXAGGSA-N
SMILES C[C@@H](O)CCCCCCCC[C@@H](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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 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 acid ChEBI
Last Modified
23 July 2014