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CHEBI:221832 - Frontalamide A

ChEBI IDCHEBI:221832
ChEBI NameFrontalamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H36N2O7
Net Charge0
Average Mass524.614
Monoisotopic Mass524.25225
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@]2(O)[C@H]1C)C5=O
InChIInChI=1S/C29H36N2O7/c1-3-15-11-17-13-19-18-5-4-6-23(35)30-10-9-21(33)26-27(36)24(28(37)31-26)20(32)8-7-16(18)12-22(34)25(19)29(17,38)14(15)2/h3-4,6-8,14-19,21,25-26,32-33,38H,1,5,9-13H2,2H3,(H,30,35)(H,31,37)/b6-4-,8-7+,24-20?/t14-,15-,16+,17+,18-,19+,21?,25-,26?,29-/m0/s1
InChIKeyFZFGBLTUJOOTPO-QRHYNJGYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies SPB78 (ncbitaxon:591157) - PubMed (20547882)
ChEBI Ontology
Outgoing Relation(s)
Frontalamide A (CHEBI:221832) is a azamacrocycle (CHEBI:52898)
Frontalamide A (CHEBI:221832) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(3E,5S,8R,9R,10S,11R,13R,15R,16S,18Z)-11-ethenyl-2,9,24-trihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.08,15.09,13]octacosa-1,3,18-triene-7,20,27,28-tetrone