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CHEBI:221825 - Frontalamide B

ChEBI IDCHEBI:221825
ChEBI NameFrontalamide B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N2O6
Net Charge0
Average Mass508.615
Monoisotopic Mass508.25734
SMILESC=C[C@H]1C[C@@H]2C[C@@H]3[C@H]4C/C=C\C(=O)NCCC(O)C5NC(=O)C(=C(O)/C=C/[C@@H]4CC(=O)[C@H]3[C@@H]2[C@H]1C)C5=O
InChIInChI=1S/C29H36N2O6/c1-3-15-11-17-12-19-18-5-4-6-23(35)30-10-9-21(33)27-28(36)26(29(37)31-27)20(32)8-7-16(18)13-22(34)25(19)24(17)14(15)2/h3-4,6-8,14-19,21,24-25,27,32-33H,1,5,9-13H2,2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,26-20?/t14-,15-,16+,17+,18-,19+,21?,24+,25-,27?/m0/s1
InChIKeyFHESOIDVDRLWJU-VHQOODOSSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SPB78 (ncbitaxon:591157) - PubMed (20547882)
ChEBI Ontology
Outgoing Relation(s)
Frontalamide B (CHEBI:221825) is a azamacrocycle (CHEBI:52898)
Frontalamide B (CHEBI:221825) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3E,5S,8R,9S,10S,11R,13R,15R,16S,18Z)-11-ethenyl-2,24-dihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone