CHEBI:67331 - Veraguamide B

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ChEBI Name Veraguamide B
ChEBI ID CHEBI:67331
Definition A natural product found in Symploca hydnoides and Oscillatoria margaritifera PAC-17-FEB-10-2.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C36H57BrN4O8
Net Charge 0
Average Mass 753.76400
Monoisotopic Mass 752.336
InChI InChI=1S/C36H57BrN4O8/c1-20(2)27-33(44)40(11)29(22(5)6)36(47)49-30(23(7)8)34(45)41-19-15-16-25(41)32(43)39(10)28(21(3)4)35(46)48-26(17-13-12-14-18-37)24(9)31(42)38-27/h20-30H,12-13,15-17,19H2,1-11H3,(H,38,42)/t24-,25-,26+,27-,28-,29-,30-/m0/s1
InChIKey UQYHDSHIIDYSSP-PYYGQVSISA-N
SMILES CC(C)[C@@H]1NC(=O)[C@@H](C)[C@@H](CCCC#CBr)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@@H](OC(=O)[C@H](C(C)C)N(C)C1=O)C(C)C
Metabolite of Species Details
Symploca hydnoides (NCBI:txid207924) EtOAc-MeOH(1:1) extract of freeze-dried cyanobacteria See: PubMed
Oscillatoria margaritifera PAC-17-FEB-10-2 (NCBI:txid991921) CH2Cl2:CH3OH(2:1) extract of biomass 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 Veraguamide B (CHEBI:67331) has role metabolite (CHEBI:25212)
Veraguamide B (CHEBI:67331) is a cyclodepsipeptide (CHEBI:35213)
Citations Waiting for Citations Types Sources
21446699 PubMed citation Europe PMC
21488639 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:dicarboxylic acid(CHEBI:35692); ISA:pyrrolidines(CHEBI:38260); ISA:carboxamide(CHEBI:37622); ISA:lactone(CHEBI:25000); ISA:tertiary amine(CHEBI:32876); ISA:carboxylic ester(CHEBI:33308); ISA:carboxylic acid(CHEBI:33575); ISA:ether(CHEBI:25698); ISA:carbonyl compound(CHEBI:36586); ISA:organobromine compound(CHEBI:37141);