N-Demethylteleocidin B-4 (CHEBI:212482)

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CHEBI:212482 - N-Demethylteleocidin B-4

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ChEBI ID	CHEBI:212482
ChEBI Name	N-Demethylteleocidin B-4
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H39N3O2
Net Charge	0
Average Mass	437.628
Monoisotopic Mass	437.30423
SMILES	C=C[C@@]1(C)CC[C@](C)(C(C)C)c2cc3c4c(cnc4c21)C[C@@H](CO)NC(=O)[C@H](C(C)C)N3
InChI	InChI=1S/C27H39N3O2/c1-8-26(6)9-10-27(7,16(4)5)19-12-20-21-17(13-28-24(21)22(19)26)11-18(14-31)29-25(32)23(30-20)15(2)3/h8,12-13,15-16,18,23,28,30-31H,1,9-11,14H2,2-7H3,(H,29,32)/t18-,23-,26-,27+/m0/s1
InChIKey	KBSSVOTYBPNYFW-RFERPQLCSA-N

Species of Metabolite	Component	Source	Comments
Kitasatospora mediocidica (ncbitaxon:58352)	-	PubMed (3103939)

ChEBI Ontology

Outgoing Relation(s)
	N-Demethylteleocidin B-4 (CHEBI:212482) is a amino acid amide (CHEBI:22475)

IUPAC Name
(6S,9S,14R,17R)-17-ethenyl-6-(hydroxymethyl)-14,17-dimethyl-9,14-di(propan-2-yl)-2,7,10-triazatetracyclo[9.7.1.04,19.013,18]nonadeca-1(18),3,11(19),12-tetraen-8-one