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CHEBI:219691 - Toblerol I

ChEBI IDCHEBI:219691
ChEBI NameToblerol I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H24O2
Net Charge0
Average Mass212.333
Monoisotopic Mass212.17763
SMILESCCCCCC/C=C\C[C@H](C)CC(=O)O
InChIInChI=1S/C13H24O2/c1-3-4-5-6-7-8-9-10-12(2)11-13(14)15/h8-9,12H,3-7,10-11H2,1-2H3,(H,14,15)/b9-8-/t12-/m0/s1
InChIKeyTWLSFPVFHKAYFT-LAUAKBEESA-N
Species of MetaboliteComponentSourceComments
Methylorubrum extorquens AM1 (ncbitaxon:272630) - PubMed (29112783)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Toblerol I (CHEBI:219691) is a medium-chain fatty acid (CHEBI:59554)
IUPAC Name 
(Z)-3-methyldodec-5-enoic acid
Manual XrefsDatabases
78436036ChemSpider