EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79251 - (3R,18R)-3,18-dihydroxynonadecanoic acid

Default Structure
ChEBI IDCHEBI:79251
ChEBI Name(3R,18R)-3,18-dihydroxynonadecanoic acid
Stars
ASCII Name(3R,18R)-3,18-dihydroxynonadecanoic acid
DefinitionAn (ω−1)-hydroxy fatty acid that is (18R)-18-hydroxynonadecanoic acid in which the 3-pro-R hydrogen is replaced by a hydroxy group.
Last Modified17 July 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC19H38O4
Net Charge0
Average Mass330.509
Monoisotopic Mass330.27701
SMILESC[C@@H](O)CCCCCCCCCCCCCC[C@@H](O)CC(=O)O
InChIInChI=1S/C19H38O4/c1-17(20)14-12-10-8-6-4-2-3-5-7-9-11-13-15-18(21)16-19(22)23/h17-18,20-21H,2-16H2,1H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyZGVQWXVMOLBGJN-QZTJIDSGSA-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,18R)-3,18-dihydroxynonadecanoic acid (CHEBI:79251) has functional parent (18R)-18-hydroxynonadecanoic acid (CHEBI:79011)
(3R,18R)-3,18-dihydroxynonadecanoic acid (CHEBI:79251) is a (ω−1)-hydroxy fatty acid (CHEBI:78954)
(3R,18R)-3,18-dihydroxynonadecanoic acid (CHEBI:79251) is a 3-hydroxy carboxylic acid (CHEBI:61355)
(3R,18R)-3,18-dihydroxynonadecanoic acid (CHEBI:79251) is a dihydroxy monocarboxylic acid (CHEBI:35972)
(3R,18R)-3,18-dihydroxynonadecanoic acid (CHEBI:79251) is a long-chain fatty acid (CHEBI:15904)
Incoming Relation(s)
bhas#34 (CHEBI:79237) has functional parent (3R,18R)-3,18-dihydroxynonadecanoic acid (CHEBI:79251)
IUPAC Name 
(3R,18R)-3,18-dihydroxynonadecanoic acid