CHEBI:69764 - Brachystemin F

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ChEBI Name Brachystemin F
ChEBI ID CHEBI:69764
Definition A natural product found in Brachystemma calycinum.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C40H60N8O10
Net Charge 0
Average Mass 812.95200
Monoisotopic Mass 812.44324
InChI InChI=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
InChIKey QCYGONJLNWMGTQ-AMDHWJNXSA-N
SMILES CC(C)C[C@@H]1NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)O)C(C)C
Metabolite of Species Details
Brachystemma calycinum (IPNI:151926-1) Found in aerial part (BTO:0001658). 95% aqueous ethanolic extract of sun-dreid and powdered aerial parts 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 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
Citation Waiting for Citations Type Source
21634415 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:carboxamide(CHEBI:37622); ISA:pyrrolidines(CHEBI:38260); ISA:amino alcohol(CHEBI:22478); ISA:lactam(CHEBI:24995); ISA:secondary alcohol(CHEBI:35681); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);