EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221445 - Stieleriacine A1

ChEBI IDCHEBI:221445
ChEBI NameStieleriacine A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31NO4
Net Charge0
Average Mass373.493
Monoisotopic Mass373.22531
SMILESCCCCCCCCC/C=C/C(=O)N/C(=C\c1ccc(O)c(C)c1)C(=O)O
InChIInChI=1S/C22H31NO4/c1-3-4-5-6-7-8-9-10-11-12-21(25)23-19(22(26)27)16-18-13-14-20(24)17(2)15-18/h11-16,24H,3-10H2,1-2H3,(H,23,25)(H,26,27)/b12-11+,19-16-
InChIKeyDDNDRMDMCPLBPG-GANMIEKESA-N
Species of MetaboliteComponentSourceComments
Stieleria (ncbitaxon:2795973) - PubMed (32533057)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Stieleriacine A1 (CHEBI:221445) is a N-acyl-amino acid (CHEBI:51569)