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CHEBI:85633 - (9S,10R)-dihydroxyoctadecanoic acid

Default Structure
ChEBI IDCHEBI:85633
ChEBI Name(9S,10R)-dihydroxyoctadecanoic acid
Stars
ASCII Name(9S,10R)-dihydroxyoctadecanoic acid
DefinitionA hydroxy fatty acid that is octadecanoic acid carrying two hydroxy substituents at positions 9 and 10.
Last Modified10 April 2017
SubmitterSteve
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+/m1/s1
InChIKeyVACHUYIREGFMSP-SJORKVTESA-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)
(9S,10R)-dihydroxyoctadecanoic acid (CHEBI:85633) has functional parent octadecanoic acid (CHEBI:28842)
(9S,10R)-dihydroxyoctadecanoic acid (CHEBI:85633) is a dihydroxy monocarboxylic acid (CHEBI:35972)
(9S,10R)-dihydroxyoctadecanoic acid (CHEBI:85633) is a hydroxyoctadecanoic acid (CHEBI:24747)
(9S,10R)-dihydroxyoctadecanoic acid (CHEBI:85633) is conjugate acid of (9S,10R)-dihydroxyoctadecanoate (CHEBI:85147)
(9S,10R)-dihydroxyoctadecanoic acid (CHEBI:85633) is enantiomer of (9R,10S)-dihydroxyoctadecanoic acid (CHEBI:136767)
Incoming Relation(s)
(9S,10R)-dihydroxyoctadecanoate (CHEBI:85147) is conjugate base of (9S,10R)-dihydroxyoctadecanoic acid (CHEBI:85633)
(9R,10S)-dihydroxyoctadecanoic acid (CHEBI:136767) is enantiomer of (9S,10R)-dihydroxyoctadecanoic acid (CHEBI:85633)
IUPAC Name 
(9S,10R)-dihydroxyoctadecanoic acid
Synonym  Source
(9S,10R)-dihydroxystearic acidChEBI
Registry NumbersSources
Reaxys:1728017Reaxys