CHEBI:69769 - brachystemin C

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ChEBI Name brachystemin C
ChEBI ID CHEBI:69769
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 C39H56N8O10
Net Charge 0
Average Mass 796.90950
Monoisotopic Mass 796.41194
InChI InChI=1S/C39H56N8O10/c1-7-21(4)30-37(55)40-19-29(49)42-31(20(2)3)44-33(51)22(5)32(50)41-23(6)34(52)45-35(53)26(18-24-12-14-25(48)15-13-24)38(56)47-17-9-11-28(47)39(57)46-16-8-10-27(46)36(54)43-30/h12-15,20-23,26-28,30-31,48H,7-11,16-19H2,1-6H3,(H,40,55)(H,41,50)(H,42,49)(H,43,54)(H,44,51)(H,45,52,53)/t21-,22-,23-,26-,27-,28-,30-,31+/m0/s1
InChIKey SFXXAIZBHQSEFS-JPASZYGRSA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)C(=O)NC(=O)[C@H](C)NC(=O)[C@H](C)C(=O)N[C@@H](NC(=O)CNC1=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 C (CHEBI:69769) has role metabolite (CHEBI:25212)
brachystemin C (CHEBI:69769) is a peptide (CHEBI:16670)
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:dicarboximide(CHEBI:35356); ISA:phenols(CHEBI:33853); ISA:carbonyl compound(CHEBI:36586); ISA:pyrrolidines(CHEBI:38260); ISA:carboxamide(CHEBI:37622); ISA:lactam(CHEBI:24995); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic acid(CHEBI:33575); ISA:aromatic alcohol(CHEBI:33854);