28-N-methylikarugamycin (CHEBI:201816)

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CHEBI:201816 - 28-N-methylikarugamycin

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ChEBI ID	CHEBI:201816
ChEBI Name	28-N-methylikarugamycin
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C30H40N2O4
Net Charge	0
Average Mass	492.660
Monoisotopic Mass	492.29881
SMILES	CC[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
InChI	InChI=1S/C30H40N2O4/c1-4-19-17(2)15-23-21(19)11-12-22-20-7-5-9-27(34)31-14-6-8-25-29(35)28(30(36)32(25)3)26(33)13-10-18(20)16-24(22)23/h5,9-13,17-25,33H,4,6-8,14-16H2,1-3H3,(H,31,34)/b9-5-,13-10?,28-26?/t17-,18-,19-,20+,21+,22-,23+,24+,25+/m1/s1
InChIKey	OZOYWVDYIKBBMO-XNWMKNEKSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	PubMed (25551780)

ChEBI Ontology

Outgoing Relation(s)
	28-N-methylikarugamycin (CHEBI:201816) is a azamacrocycle (CHEBI:52898)
	28-N-methylikarugamycin (CHEBI:201816) is a keratan 6'-sulfate (CHEBI:18331)

IUPAC Name
(5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-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