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CHEBI:202281 - Takinolide seco-acid

ChEBI IDCHEBI:202281
ChEBI NameTakinolide seco-acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H34O4
Net Charge0
Average Mass302.455
Monoisotopic Mass302.24571
SMILESCCCCCCCCCCC[C@@](O)(CO)CCCC(=O)O
InChIInChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-13-17(21,15-18)14-11-12-16(19)20/h18,21H,2-15H2,1H3,(H,19,20)/t17-/m0/s1
InChIKeyJUQSZYLSJUZCDT-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (19572575)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Takinolide seco-acid (CHEBI:202281) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(5S)-5-hydroxy-5-(hydroxymethyl)hexadecanoic acid
Manual XrefsDatabases
30658987ChemSpider