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CHEBI:76618 - 3,12-dihydroxylaurate

ChEBI IDCHEBI:76618
ChEBI Name3,12-dihydroxylaurate
Stars
DefinitionAn ω-hydroxy fatty acid anion that is the conjugate base of 3,12-dihydroxylauric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified23 January 2023
Submitterlaimo
DownloadsMolfile
FormulaC12H23O4
Net Charge-1
Average Mass231.312
Monoisotopic Mass231.16018
SMILESO=C([O-])CC(O)CCCCCCCCCO
InChIInChI=1S/C12H24O4/c13-9-7-5-3-1-2-4-6-8-11(14)10-12(15)16/h11,13-14H,1-10H2,(H,15,16)/p-1
InChIKeyJGEFOCOPBYAGDE-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
3,12-dihydroxylaurate (CHEBI:76618) has functional parent dodecanoate (CHEBI:18262)
3,12-dihydroxylaurate (CHEBI:76618) is a ω-hydroxy-medium-chain fatty acid anion (CHEBI:194241)
3,12-dihydroxylaurate (CHEBI:76618) is conjugate base of 3,12-dihydroxylauric acid (CHEBI:76934)
Incoming Relation(s)
3,12-dihydroxylauric acid (CHEBI:76934) is conjugate acid of 3,12-dihydroxylaurate (CHEBI:76618)
IUPAC Name 
3,12-dihydroxydodecanoate
Synonyms  Source
3,12-OH-C12:0(1−)SUBMITTER
β,ω-dihydroxydodecanoateSUBMITTER
β,ω-dihydroxylaurateChEBI
UniProt Name  Source
3,12-dihydroxydodecanoateUniProt