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CHEBI:65708 - cyclomontanin D

ChEBI IDCHEBI:65708
ChEBI Namecyclomontanin D
Stars
DefinitionA homodetic cyclic peptide composed of L-alanyl, Lasparaginyl, L-prolylglycyl, L-leucyl, L-prolyl and L-tyrosyl residues linked in a sequence. It is isolated from the seeds of Annona montana and has been shown to exhibit anti-inflammatory activity.
Last Modified20 December 2012
DownloadsMolfile
FormulaC34H48N8O9
Net Charge0
Average Mass712.805
Monoisotopic Mass712.35443
SMILES[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC2=O
InChIInChI=1S/C34H48N8O9/c1-18(2)14-23-33(50)42-13-5-7-26(42)32(49)39-22(15-20-8-10-21(43)11-9-20)30(47)37-19(3)29(46)40-24(16-27(35)44)34(51)41-12-4-6-25(41)31(48)36-17-28(45)38-23/h8-11,18-19,22-26,43H,4-7,12-17H2,1-3H3,(H2,35,44)(H,36,48)(H,37,47)(H,38,45)(H,39,49)(H,40,46)/t19-,22-,23-,24-,25-,26-/m0/s1
InChIKeySRGSUICLJQYQAF-KTHKBMNISA-N
Species of MetaboliteComponentSourceComments
Annona montana (ncbitaxon:49857) seed (BTO:0001226) PubMed (18687006)
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.
Application:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
cyclomontanin D (CHEBI:65708) has role anti-inflammatory agent (CHEBI:67079)
cyclomontanin D (CHEBI:65708) has role metabolite (CHEBI:25212)
cyclomontanin D (CHEBI:65708) is a homodetic cyclic peptide (CHEBI:24613)
IUPAC Name 
cyclo(L-alanyl-L-asparaginyl-L-prolylglycyl-L-leucyl-L-prolyl-L-tyrosyl)
Registry NumbersSources
Reaxys:18863995Reaxys
Citations