CHEBI:76618 - 3,12-dihydroxylaurate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,12-dihydroxylaurate
ChEBI ID CHEBI:76618
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C12H23O4
Net Charge -1
Average Mass 231.30860
Monoisotopic Mass 231.16018
InChI InChI=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
InChIKey JGEFOCOPBYAGDE-UHFFFAOYSA-M
SMILES OCCCCCCCCCC(O)CC([O-])=O
ChEBI Ontology
Outgoing 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 3,12-dihydroxylauric acid (CHEBI:76934) is conjugate acid of 3,12-dihydroxylaurate (CHEBI:76618)
IUPAC Name
3,12-dihydroxydodecanoate
Synonyms Sources
3,12-dihydroxydodecanoate UniProt
3,12-OH-C12:0(1−) SUBMITTER
β,ω-dihydroxydodecanoate SUBMITTER
β,ω-dihydroxylaurate ChEBI
Last Modified
23 January 2023