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CHEBI:69766 - Brachystemin H

ChEBI IDCHEBI:69766
ChEBI NameBrachystemin H
Stars
DefinitionA natural product found in Brachystemma calycinum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC45H58N10O9
Net Charge0
Average Mass883.020
Monoisotopic Mass882.43882
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC1=O
InChIInChI=1S/C45H58N10O9/c1-4-25(2)38-43(62)48-24-37(57)49-26(3)44(63)54-18-10-16-34(54)41(60)51-32(21-28-23-47-30-15-9-8-14-29(28)30)39(58)52-33(22-36(46)56)45(64)55-19-11-17-35(55)42(61)50-31(40(59)53-38)20-27-12-6-5-7-13-27/h5-9,12-15,23,25-26,31-35,38,47H,4,10-11,16-22,24H2,1-3H3,(H2,46,56)(H,48,62)(H,49,57)(H,50,61)(H,51,60)(H,52,58)(H,53,59)/t25-,26-,31-,32-,33-,34-,35-,38-/m0/s1
InChIKeyIHTGVVXTXBFTBZ-GZLFKYFISA-N
Species of MetaboliteComponentSourceComments
Brachystemma calycinum (IPNI:151926-1) aerial part (BTO:0001658) PubMed (21634415) 95% aqueous ethanolic extract of sun-dreid aerial parts
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.
ChEBI Ontology
Outgoing Relation(s)
Brachystemin H (CHEBI:69766) has role metabolite (CHEBI:25212)
Brachystemin H (CHEBI:69766) is a cyclic peptide (CHEBI:23449)
Synonym  Source
cyclo(Pro-Phe-Ile-Gly-Ala-Pro-Trp-Asn)ChEBI
Citations