CHEBI:65707 - cyclomontanin C

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ChEBI Name cyclomontanin C
ChEBI ID CHEBI:65707
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C51H67N13O12
Net Charge 0
Average Mass 1054.15760
Monoisotopic Mass 1053.50321
InChI InChI=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
InChIKey POVFXEIWKRHEKP-GCGRWEQZSA-N
SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]([H])(NC2=O)[C@@H](C)O)C(C)C
Metabolite of Species Details
Annona montana (NCBI:txid49857) Found in seed (BTO:0001226). 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.
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Number Type Source
18864003 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18687006 PubMed citation Europe PMC
Last Modified
20 декабря 2012