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CHEBI:69769 - brachystemin C

ChEBI IDCHEBI:69769
ChEBI Namebrachystemin C
Stars
DefinitionA natural product found in Brachystemma calycinum.
Last Modified22 September 2014
DownloadsMolfile
FormulaC39H56N8O10
Net Charge0
Average Mass796.923
Monoisotopic Mass796.41194
SMILESCC[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](C(C)C)NC(=O)CNC1=O
InChIInChI=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
InChIKeySFXXAIZBHQSEFS-JPASZYGRSA-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 C (CHEBI:69769) has role metabolite (CHEBI:25212)
brachystemin C (CHEBI:69769) is a peptide (CHEBI:16670)
Citations