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CHEBI:204091 - 30-oxo-28-N-methylikarugamycin

ChEBI IDCHEBI:204091
ChEBI Name30-oxo-28-N-methylikarugamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38N2O5
Net Charge0
Average Mass506.643
Monoisotopic Mass506.27807
SMILESCC(=O)[C@H]1[C@@H]2C=C[C@@H]3[C@H]4C/C=C\C(=O)NCCC[C@H]5C(=O)C(=C(O)C=C[C@@H]4C[C@@H]3[C@H]2C[C@H]1C)C(=O)N5C
InChIInChI=1S/C30H38N2O5/c1-16-14-22-21(27(16)17(2)33)11-10-20-19-6-4-8-26(35)31-13-5-7-24-29(36)28(30(37)32(24)3)25(34)12-9-18(19)15-23(20)22/h4,8-12,16,18-24,27,34H,5-7,13-15H2,1-3H3,(H,31,35)/b8-4-,12-9?,28-25?/t16-,18-,19+,20-,21-,22+,23+,24+,27+/m1/s1
InChIKeyXRGRHICYOPBQHL-VHJCOEOQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25551780)
ChEBI Ontology
Outgoing Relation(s)
30-oxo-28-N-methylikarugamycin (CHEBI:204091) is a azamacrocycle (CHEBI:52898)
30-oxo-28-N-methylikarugamycin (CHEBI:204091) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(5S,7R,8R,10R,11R,12R,15R,16S,18Z,25S)-11-acetyl-2-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione