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CHEBI:210754 - Isoikarugamycin

ChEBI IDCHEBI:210754
ChEBI NameIsoikarugamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38N2O4
Net Charge0
Average Mass478.633
Monoisotopic Mass478.28316
SMILESCC[C@H]1[C@@H]2C=C[C@@H]3[C@H]4/C=C/CC(=O)NCCC[C@@H]5NC(=O)C(=C(O)C=C[C@@H]4C[C@@H]3[C@H]2C[C@H]1C)C5=O
InChIInChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,6,9-12,16-24,32H,3,5,7-8,13-15H2,1-2H3,(H,30,33)(H,31,35)/b6-4+,12-9?,27-25?/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1
InChIKeySKDZCWQTNXDRSN-UAQFAICHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25551780)
ChEBI Ontology
Outgoing Relation(s)
Isoikarugamycin (CHEBI:210754) is a iridoid monoterpenoid (CHEBI:50563)
IUPAC Name 
(5S,7R,8R,10R,11R,12S,15S,16S,17E,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,17-tetraene-20,27,28-trione