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CHEBI:69166 - Apetaline C

ChEBI IDCHEBI:69166
ChEBI NameApetaline C
Stars
DefinitionA natural product found in Ziziphus apetala.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H39N5O6
Net Charge0
Average Mass589.693
Monoisotopic Mass589.29003
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(C)C=O)C(C)C
InChIInChI=1S/C32H39N5O6/c1-20(2)27(35-29(39)21(3)36(4)19-38)32(42)37-17-15-26-28(37)31(41)34-25(18-23-8-6-5-7-9-23)30(40)33-16-14-22-10-12-24(43-26)13-11-22/h5-14,16,19-21,25-28H,15,17-18H2,1-4H3,(H,33,40)(H,34,41)(H,35,39)/b16-14-/t21?,25-,26-,27-,28-/m0/s1
InChIKeyVTDPXBHEENTWPJ-GKUFJQKTSA-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 C (CHEBI:69166) has role metabolite (CHEBI:25212)
Apetaline C (CHEBI:69166) is a cyclic peptide (CHEBI:23449)
Citations