CHEBI:69166 - Apetaline C

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ChEBI Name Apetaline C
ChEBI ID CHEBI:69166
Definition A natural product found in Ziziphus apetala.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C32H39N5O6
Net Charge 0
Average Mass 589.68200
Monoisotopic Mass 589.29003
InChI InChI=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
InChIKey VTDPXBHEENTWPJ-GKUFJQKTSA-N
SMILES [H][C@]12CCN(C(=O)[C@@H](NC(=O)C(C)N(C)C=O)C(C)C)[C@]1([H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N\C=C/c1ccc(O2)cc1
Metabolite of Species Details
Ziziphus apetala (NCBI:txid478035) Found in stem (BTO:0001300). 95% EtOH extract of Air-dried and powdered stems See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Apetaline C (CHEBI:69166) has role metabolite (CHEBI:25212)
Apetaline C (CHEBI:69166) is a cyclic peptide (CHEBI:23449)
Citation Waiting for Citations Type Source
22148241 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:N-acyl-amino acid(CHEBI:51569); ISA:amino acid amide(CHEBI:22475); ISA:N-acylpyrrolidine(CHEBI:46766); ISA:aralkylamine(CHEBI:18000); ISA:aromatic ether(CHEBI:35618); ISA:fatty amide(CHEBI:29348); ISA:benzenes(CHEBI:22712); ISA:carboxamide(CHEBI:37622); ISA:lactam(CHEBI:24995); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic acid(CHEBI:33575); ISA:organonitrogen compound(CHEBI:35352); ISA:enamine(CHEBI:47989); ISA:carbonyl compound(CHEBI:36586);