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CHEBI:183370 - 3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid

ChEBI IDCHEBI:183370
ChEBI Name3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H16F6O2
Net Charge0
Average Mass330.268
Monoisotopic Mass330.10545
SMILESO=C(O)C12CC3CC(C1)CC(C(F)(F)C(F)C(F)(F)F)(C3)C2
InChIInChI=1S/C14H16F6O2/c15-9(14(18,19)20)13(16,17)12-4-7-1-8(5-12)3-11(2-7,6-12)10(21)22/h7-9H,1-6H2,(H,21,22)
InChIKeyGLJDZZQQPFAEPQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid (CHEBI:183370) is a carboxylic acid (CHEBI:33575)
IUPAC Name 
3-(1,1,2,3,3,3-hexaluoropropyl)adamantane-1-carboxylic acid
Manual XrefsDatabases
2011404ChemSpider