CHEBI:68079 - (cyclo(N-methyl-L-Phe-L-Val-D-Ile-L-Leu-L-Pro))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (cyclo(N-methyl-L-Phe-L-Val-D-Ile-L-Leu-L-Pro))
ChEBI ID CHEBI:68079
Definition A natural product found in Xylaria species.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C32H49N5O5
Net Charge 0
Average Mass 583.76200
Monoisotopic Mass 583.37337
InChI InChI=1S/C32H49N5O5/c1-8-21(6)27-30(40)33-23(17-19(2)3)31(41)37-16-12-15-24(37)32(42)36(7)25(18-22-13-10-9-11-14-22)28(38)34-26(20(4)5)29(39)35-27/h9-11,13-14,19-21,23-27H,8,12,15-18H2,1-7H3,(H,33,40)(H,34,38)(H,35,39)/t21-,23+,24+,25+,26+,27-/m1/s1
InChIKey NSBVGLQWOAQURC-ZFWJRURNSA-N
SMILES CC[C@@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC1=O)C(C)C
Metabolite of Species Details
Xylaria (NCBI:txid37991) Endolichenic fungi isolated from Leptogium saturninum and EtOAc extract of fermented rice substrate 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 (cyclo(N-methyl-L-Phe-L-Val-D-Ile-L-Leu-L-Pro)) (CHEBI:68079) has role metabolite (CHEBI:25212)
(cyclo(N-methyl-L-Phe-L-Val-D-Ile-L-Leu-L-Pro)) (CHEBI:68079) is a cyclic peptide (CHEBI:23449)
Synonym Source
Cyclo(D-isoleucyl-L-leucyl-L-prolyl-N-methyl-L-phenylalanyl-L-valyl) ChEBI
Citation Waiting for Citations Type Source
21428374 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:aralkylamine(CHEBI:18000); ISA:benzenes(CHEBI:22712); ISA:pyrrolidines(CHEBI:38260); ISA:carboxamide(CHEBI:37622); ISA:lactam(CHEBI:24995); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);