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CHEBI:69162 - Apetaline B

ChEBI IDCHEBI:69162
ChEBI NameApetaline B
Stars
DefinitionA natural product found in Ziziphus apetala.
Last Modified22 September 2014
DownloadsMolfile
FormulaC32H39N5O5
Net Charge0
Average Mass573.694
Monoisotopic Mass573.29512
SMILES[H][C@@]12C(=O)N[C@@H](Cc3ccccc3)C(=O)N/C=C\c3ccc(cc3)O[C@@]1([H])CCN2C(=O)[C@H](C(C)C)N1CN(C)[C@@H](C)C1=O
InChIInChI=1S/C32H39N5O5/c1-20(2)27(37-19-35(4)21(3)31(37)40)32(41)36-17-15-26-28(36)30(39)34-25(18-23-8-6-5-7-9-23)29(38)33-16-14-22-10-12-24(42-26)13-11-22/h5-14,16,20-21,25-28H,15,17-19H2,1-4H3,(H,33,38)(H,34,39)/b16-14-/t21-,25-,26-,27-,28-/m0/s1
InChIKeyNHMXYUDLGWLVHY-DYLSSQNPSA-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 B (CHEBI:69162) has role metabolite (CHEBI:25212)
Apetaline B (CHEBI:69162) is a cyclic peptide (CHEBI:23449)
Citations