EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:227075 - 2-oxo-3(R)-hydroxy-13-N-desmethyl-lyngbyatoxin A

ChEBI IDCHEBI:227075
ChEBI Name2-oxo-3(R)-hydroxy-13-N-desmethyl-lyngbyatoxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H37N3O4
Net Charge0
Average Mass455.599
Monoisotopic Mass455.27841
SMILESC=C[C@@](C)(CCC=C(C)C)c1ccc2c3c1NC(=O)[C@@]3(O)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2
InChIInChI=1S/C26H37N3O4/c1-7-25(6,12-8-9-15(2)3)18-10-11-19-20-22(18)29-24(32)26(20,33)13-17(14-30)27-23(31)21(28-19)16(4)5/h7,9-11,16-17,21,28,30,33H,1,8,12-14H2,2-6H3,(H,27,31)(H,29,32)/t17-,21-,25-,26+/m0/s1
InChIKeyIYWSJDFNYQWKPV-URWKRNFESA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (25470181)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
2-oxo-3(R)-hydroxy-13-N-desmethyl-lyngbyatoxin A (CHEBI:227075) is a peptide (CHEBI:16670)
IUPAC Name 
(1R,10S,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-1-hydroxy-13-(hydroxymethyl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-4,6,8(15)-triene-2,11-dione
Manual XrefsDatabases
34981346ChemSpider