EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227326 - Thalabetaotalic acid B

ChEBI IDCHEBI:227326
ChEBI NameThalabetaotalic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H27NO4
Net Charge0
Average Mass333.428
Monoisotopic Mass333.19401
SMILESCC(C)CCCCCCC(=O)N/C(=C\c1ccc(O)cc1)C(=O)O
InChIInChI=1S/C19H27NO4/c1-14(2)7-5-3-4-6-8-18(22)20-17(19(23)24)13-15-9-11-16(21)12-10-15/h9-14,21H,3-8H2,1-2H3,(H,20,22)(H,23,24)/b17-13-
InChIKeySSNQNYQKPDUFGG-LGMDPLHJSA-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 B (CHEBI:227326) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
(Z)-3-(4-hydroxyphenyl)-2-(8-methylnonanoylamino)prop-2-enoic acid
Manual XrefsDatabases
58196571ChemSpider