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CHEBI:70390 - Lagunamide A

ChEBI IDCHEBI:70390
ChEBI NameLagunamide A
Stars
DefinitionA natural product found in Lyngbya majuscula.
Last Modified22 September 2014
DownloadsMolfile
FormulaC45H71N5O10
Net Charge0
Average Mass842.088
Monoisotopic Mass841.52009
SMILESCC[C@@H](C)[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@H](C)[C@H]([C@@H](C)CC)OC(=O)[C@H](C)N(C)C1=O
InChIInChI=1S/C45H71N5O10/c1-14-26(4)37-43(56)49(12)32(10)45(58)59-38(27(5)15-2)30(8)35(51)23-22-29(7)44(57)60-39(28(6)16-3)40(53)46-31(9)41(54)50(13)34(24-33-20-18-17-19-21-33)42(55)48(11)25-36(52)47-37/h17-22,26-28,30-32,34-35,37-39,51H,14-16,23-25H2,1-13H3,(H,46,53)(H,47,52)/b29-22+/t26-,27+,28+,30+,31+,32+,34-,35+,37+,38+,39-/m1/s1
InChIKeyVOJKUGWTQYFABB-ZJXVFMLESA-N
Species of MetaboliteComponentSourceComments
Lyngbya majuscula (ncbitaxon:158786) - PubMed (20936843) Cyanobacteria exhaustively extracted with CHCl3-MeOH(1:1)
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)
Lagunamide A (CHEBI:70390) has role metabolite (CHEBI:25212)
Lagunamide A (CHEBI:70390) is a cyclodepsipeptide (CHEBI:35213)
Citations