Thalabetaotalic acid B (CHEBI:227326)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Thalabetaotalic acid B

ChEBI ID	CHEBI:227326

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H27NO4

Net Charge

Average Mass

333.428

Monoisotopic Mass

333.19401

InChI

InChI=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-

InChIKey

SSNQNYQKPDUFGG-LGMDPLHJSA-N

SMILES

O=C(O)/C(/NC(=O)CCCCCCC(C)C)=C/C1=CC=C(O)C=C1

Metabolite of Species	Details
Thalassotaleaspecies PP2-459 (NCBI:txid1742724)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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