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CHEBI:69161 - Apetaline A

ChEBI IDCHEBI:69161
ChEBI NameApetaline A
Stars
DefinitionA natural product found in Ziziphus apetala.
Last Modified22 September 2014
DownloadsMolfile
FormulaC30H35N5O6
Net Charge0
Average Mass561.639
Monoisotopic Mass561.25873
SMILES[H][C@@]12C(=O)N[C@@H](Cc3ccccc3)C(=O)N/C=C\c3ccc(cc3)O[C@@]1([H])CCN2C(=O)[C@@H](NC(=O)/C(C)=N\O)C(C)C
InChIInChI=1S/C30H35N5O6/c1-18(2)25(33-27(36)19(3)34-40)30(39)35-16-14-24-26(35)29(38)32-23(17-21-7-5-4-6-8-21)28(37)31-15-13-20-9-11-22(41-24)12-10-20/h4-13,15,18,23-26,40H,14,16-17H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)/b15-13-,34-19-/t23-,24-,25-,26-/m0/s1
InChIKeyFADRDHDLIJSOGO-NVGWCTLGSA-N
Species of MetaboliteComponentSourceComments
Ziziphus apetala (ncbitaxon:478035) stem (BTO:0001300) PubMed (22148241) 95% EtOH extract of Air-dried and powdered stems
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Apetaline A (CHEBI:69161) has role metabolite (CHEBI:25212)
Apetaline A (CHEBI:69161) is a cyclic peptide (CHEBI:23449)
Citations