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CHEBI:227321 - Thalabetaotalic acid A

ChEBI IDCHEBI:227321
ChEBI NameThalabetaotalic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27NO4
Net Charge0
Average Mass333.428
Monoisotopic Mass333.19401
SMILESCCCCCCCCCC(=O)N/C(=C\c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C19H27NO4/c1-2-3-4-5-6-7-8-9-18(22)20-17(19(23)24)14-15-10-12-16(21)13-11-15/h10-14,21H,2-9H2,1H3,(H,20,22)(H,23,24)/b17-14-
InChIKeyLCWMLAAWWWWZBR-VKAVYKQESA-N
Species of MetaboliteComponentSourceComments
Thalassotaleaspecies PP2-459 (ncbitaxon:1742724) - PubMed (26824128)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Thalabetaotalic acid A (CHEBI:227321) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(Z)-2-(decanoylamino)-3-(4-hydroxyphenyl)prop-2-enoic acid
Manual XrefsDatabases
58196570ChemSpider