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CHEBI:69767 - Brachystemin I

ChEBI IDCHEBI:69767
ChEBI NameBrachystemin I
Stars
DefinitionA natural product found in Brachystemma calycinum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC43H55N9O10
Net Charge0
Average Mass857.966
Monoisotopic Mass857.40719
SMILESC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O
InChIInChI=1S/C43H55N9O10/c1-23-37(56)45-22-34(55)47-30(19-26-11-5-4-6-12-26)38(57)49-35(24(2)53)41(60)50-36(25(3)54)43(62)52-18-10-16-33(52)40(59)48-31(20-27-21-44-29-14-8-7-13-28(27)29)42(61)51-17-9-15-32(51)39(58)46-23/h4-8,11-14,21,23-25,30-33,35-36,44,53-54H,9-10,15-20,22H2,1-3H3,(H,45,56)(H,46,58)(H,47,55)(H,48,59)(H,49,57)(H,50,60)/t23-,24+,25+,30-,31-,32-,33-,35-,36-/m0/s1
InChIKeyKADRLXHCWSLEIB-HPAXBWHASA-N
Species of MetaboliteComponentSourceComments
Brachystemma calycinum (IPNI:151926-1) aerial part (BTO:0001658) PubMed (21634415) 95% aqueous ethanolic extract of sun-dreid and powdered 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 I (CHEBI:69767) has role metabolite (CHEBI:25212)
Brachystemin I (CHEBI:69767) is a cyclic peptide (CHEBI:23449)
Synonym  Source
cyclo(Pro-Ala-Gly-Phe-Thr-Thr-Pro-Trp)ChEBI
Citations