CHEBI:70391 - Lagunamide B

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ChEBI Name Lagunamide B
ChEBI ID CHEBI:70391
Definition A natural product found in Lyngbya majuscula.
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C45H69N5O10
Net Charge 0
Average Mass 840.05690
Monoisotopic Mass 839.504
InChI InChI=1S/C45H69N5O10/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/h15,17-22,26,28,30-32,34-35,37-39,51H,14,16,23-25H2,1-13H3,(H,46,53)(H,47,52)/b27-15+,29-22+/t26-,28+,30+,31+,32+,34-,35+,37+,38+,39-/m1/s1
InChIKey AEOXIHQSVQNFCU-PCOXENEKSA-N
SMILES CC[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](OC(=O)\C(C)=C\C[C@H](O)[C@H](C)[C@@H](OC(=O)[C@H](C)N(C)C1=O)C(\C)=C\C)[C@@H](C)CC
Metabolite of Species Details
Lyngbya majuscula (NCBI:txid158786) Cyanobacteria exhaustively extracted with CHCl3-MeOH(1:1) See: PubMed
Roles Classification
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 Lagunamide B (CHEBI:70391) has role metabolite (CHEBI:25212)
Lagunamide B (CHEBI:70391) is a cyclodepsipeptide (CHEBI:35213)
Citation Waiting for Citations Type Source
20936843 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:alpha-amino acid ester(CHEBI:46874); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:aralkylamine(CHEBI:18000); ISA:benzenes(CHEBI:22712); ISA:dicarboxylic acid(CHEBI:35692); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:carboxamide(CHEBI:37622); ISA:enoate ester(CHEBI:51702); ISA:secondary alcohol(CHEBI:35681); ISA:tertiary amine(CHEBI:32876); ISA:lactone(CHEBI:25000); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586);