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CHEBI:65707 - cyclomontanin C

ChEBI IDCHEBI:65707
ChEBI Namecyclomontanin C
Stars
DefinitionA homodetic cyclic peptide composed of L-asparaginyl, L-phenylalanyl, L-prolyl, L-threonyl, L-histidyl and L-valyl 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
FormulaC51H67N13O12
Net Charge0
Average Mass1054.176
Monoisotopic Mass1053.50321
SMILES[H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1cncn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]([H])([C@@H](C)O)NC2=O
InChIInChI=1S/C51H67N13O12/c1-27(2)41-48(73)59-35(24-40(53)67)45(70)60-36(21-30-14-8-5-9-15-30)50(75)64-19-11-17-38(64)51(76)63-18-10-16-37(63)47(72)62-42(28(3)65)49(74)58-32(20-29-12-6-4-7-13-29)43(68)57-34(23-39(52)66)44(69)56-33(46(71)61-41)22-31-25-54-26-55-31/h4-9,12-15,25-28,32-38,41-42,65H,10-11,16-24H2,1-3H3,(H2,52,66)(H2,53,67)(H,54,55)(H,56,69)(H,57,68)(H,58,74)(H,59,73)(H,60,70)(H,61,71)(H,62,72)/t28-,32+,33+,34+,35+,36+,37+,38+,41+,42+/m1/s1
InChIKeyPOVFXEIWKRHEKP-GCGRWEQZSA-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 C (CHEBI:65707) has role anti-inflammatory agent (CHEBI:67079)
cyclomontanin C (CHEBI:65707) has role metabolite (CHEBI:25212)
cyclomontanin C (CHEBI:65707) is a homodetic cyclic peptide (CHEBI:24613)
IUPAC Name 
cyclo(L-asparaginyl-L-phenylalanyl-L-prolyl-L-prolyl-L-threonyl-L-phenylalanyl-L-asparaginyl-L-histidyl-L-valyl)
Registry NumbersSources
Reaxys:18864003Reaxys
Citations