13-N-demethylteleocidin A1 (CHEBI:212533)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212533 - 13-N-demethylteleocidin A1

Take structure to advanced search

ChEBI ID	CHEBI:212533
ChEBI Name	13-N-demethylteleocidin A1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H37N3O2
Net Charge	0
Average Mass	423.601
Monoisotopic Mass	423.28858
SMILES	C=C[C@@](C)(CCC=C(C)C)c1ccc2c3c(cnc13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2
InChI	InChI=1S/C26H37N3O2/c1-7-26(6,12-8-9-16(2)3)20-10-11-21-22-18(14-27-24(20)22)13-19(15-30)28-25(31)23(29-21)17(4)5/h7,9-11,14,17,19,23,27,29-30H,1,8,12-13,15H2,2-6H3,(H,28,31)/t19-,23-,26-/m0/s1
InChIKey	KWVWOXJGHDYSDZ-CZZAQMAHSA-N

Species of Metabolite	Component	Source	Comments
Streptomyces (ncbitaxon:1883)	-	DOI (10.1271/bbb1961.52.3193)

ChEBI Ontology

Outgoing Relation(s)
	13-N-demethylteleocidin A1 (CHEBI:212533) is a monoterpenoid (CHEBI:25409)

IUPAC Name
(10S,13S)-5-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-13-(hydroxymethyl)-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4,6,8(15)-tetraen-11-one