CHEBI:69767 - Brachystemin I

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ChEBI Name Brachystemin I
ChEBI ID CHEBI:69767
Definition A natural product found in Brachystemma calycinum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C43H55N9O10
Net Charge 0
Average Mass 857.95110
Monoisotopic Mass 857.40719
InChI InChI=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
InChIKey KADRLXHCWSLEIB-HPAXBWHASA-N
SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC1=O)[C@@H](C)O
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 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
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:indoles(CHEBI:24828); ISA:aralkylamine(CHEBI:18000); ISA:benzenes(CHEBI:22712); ISA:pyrroles(CHEBI:26455); ISA:carboxamide(CHEBI:37622); ISA:pyrrolidines(CHEBI:38260); ISA:amino alcohol(CHEBI:22478); ISA:secondary alcohol(CHEBI:35681); ISA:lactam(CHEBI:24995); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic acid(CHEBI:33575); ISA:carbonyl compound(CHEBI:36586);