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CHEBI:136767 - (9R,10S)-dihydroxyoctadecanoic acid

ChEBI IDCHEBI:136767
ChEBI Name(9R,10S)-dihydroxyoctadecanoic acid
Stars
ASCII Name(9R,10S)-dihydroxyoctadecanoic acid
DefinitionA dihydroxy monocarboxylic acid that is octadecanoic acid in which the two hydroxy groups are located at positions 9R and 10S.
Last Modified4 January 2019
Submittermwilliams
DownloadsMolfile
FormulaC18H36O4
Net Charge0
Average Mass316.482
Monoisotopic Mass316.26136
SMILESCCCCCCCC[C@H](O)[C@H](O)CCCCCCCC(=O)O
InChIInChI=1S/C18H36O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h16-17,19-20H,2-15H2,1H3,(H,21,22)/t16-,17+/m0/s1
InChIKeyVACHUYIREGFMSP-DLBZAZTESA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- PubMed (27500669)
- MetaboLights (MTBLS312)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
ChEBI Ontology
Outgoing Relation(s)
(9R,10S)-dihydroxyoctadecanoic acid (CHEBI:136767) has functional parent octadecanoic acid (CHEBI:28842)
(9R,10S)-dihydroxyoctadecanoic acid (CHEBI:136767) has role Brassica napus metabolite (CHEBI:140165)
(9R,10S)-dihydroxyoctadecanoic acid (CHEBI:136767) is a dihydroxy monocarboxylic acid (CHEBI:35972)
(9R,10S)-dihydroxyoctadecanoic acid (CHEBI:136767) is a hydroxyoctadecanoic acid (CHEBI:24747)
(9R,10S)-dihydroxyoctadecanoic acid (CHEBI:136767) is enantiomer of (9S,10R)-dihydroxyoctadecanoic acid (CHEBI:85633)
Incoming Relation(s)
(9S,10R)-dihydroxyoctadecanoic acid (CHEBI:85633) is enantiomer of (9R,10S)-dihydroxyoctadecanoic acid (CHEBI:136767)
IUPAC Name 
(9R,10S)-9,10-dihydroxyoctadecanoic acid
Synonyms  Source
(9R,10S)-dihydroxystearic acidChEBI
(9R,10S)-9,10-dihydroxystearic acidChEBI
9R,10S-dihydroxy-octadecanoic acidLIPID MAPS
9R,10S-dihydroxy-stearic acidLIPID MAPS
Manual XrefsDatabases
LMFA02000007LIPID MAPS
Registry NumbersSources
Reaxys:1728016Reaxys