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CHEBI:65706 - cyclomontanin A

ChEBI IDCHEBI:65706
ChEBI Namecyclomontanin A
Stars
DefinitionA homodetic cyclic peptide composed of L-alanyl, L-tryptophyl, L-threonyl, L-prolylglycyl, L-leucyl and L-asparaginyl 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
FormulaC35H49N9O9
Net Charge0
Average Mass739.831
Monoisotopic Mass739.36532
SMILES[H][C@@]12CCCN1C(=O)[C@]([H])([C@@H](C)O)NC(=O)[C@H](Cc1cnc3ccccc13)NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)CNC2=O
InChIInChI=1S/C35H49N9O9/c1-17(2)12-23-32(50)42-25(14-27(36)46)31(49)39-18(3)30(48)41-24(13-20-15-37-22-9-6-5-8-21(20)22)33(51)43-29(19(4)45)35(53)44-11-7-10-26(44)34(52)38-16-28(47)40-23/h5-6,8-9,15,17-19,23-26,29,37,45H,7,10-14,16H2,1-4H3,(H2,36,46)(H,38,52)(H,39,49)(H,40,47)(H,41,48)(H,42,50)(H,43,51)/t18-,19+,23-,24-,25-,26-,29-/m0/s1
InChIKeyBJDACJTXTXRXOB-YOGBPHHOSA-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 A (CHEBI:65706) has role anti-inflammatory agent (CHEBI:67079)
cyclomontanin A (CHEBI:65706) has role metabolite (CHEBI:25212)
cyclomontanin A (CHEBI:65706) is a homodetic cyclic peptide (CHEBI:24613)
IUPAC Name 
cyclo(L-alanyl-L-tryptophyl-L-threonyl-L-prolylglycyl-L-leucyl-L-asparaginyl)
Synonym  Source
2-[(6S,9R,12S,15S,18S,23aS)-18-[(1R)-1-hydroxyethyl]-15-(1H-indol-3-ylmethyl)-12-methyl-6-(2-methylpropyl)-1,4,7,10,13,16,19-heptaoxodocosahydro-1H-pyrrolo[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosin-9-yl]acetamideChEBI
Registry NumbersSources
Reaxys:18863997Reaxys
Citations