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CHEBI:69764 - Brachystemin F

ChEBI IDCHEBI:69764
ChEBI NameBrachystemin F
Stars
DefinitionA natural product found in Brachystemma calycinum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC40H60N8O10
Net Charge0
Average Mass812.966
Monoisotopic Mass812.44324
SMILESCC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC1=O
InChIInChI=1S/C40H60N8O10/c1-21(2)18-26-34(52)46-33(24(6)50)40(58)48-17-11-15-29(48)36(54)45-32(23(5)49)38(56)43-27(19-25-12-8-7-9-13-25)39(57)47-16-10-14-28(47)35(53)44-31(22(3)4)37(55)41-20-30(51)42-26/h7-9,12-13,21-24,26-29,31-33,49-50H,10-11,14-20H2,1-6H3,(H,41,55)(H,42,51)(H,43,56)(H,44,53)(H,45,54)(H,46,52)/t23-,24-,26+,27+,28+,29+,31+,32+,33+/m1/s1
InChIKeyQCYGONJLNWMGTQ-AMDHWJNXSA-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 F (CHEBI:69764) has role metabolite (CHEBI:25212)
Brachystemin F (CHEBI:69764) is a cyclic peptide (CHEBI:23449)
Synonym  Source
Cyclo(glycyl-L-leucyl-L-threonyl-L-prolyl-L-threonyl-L-phenylalanyl-L-prolyl-L-valyl)ChEBI
Citations