(1R,15R,17S)-17-Ethyl-6-[(1R,14R,15E)-15-ethylidene-17,18-dimethyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene (CHEBI:180935)

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CHEBI:180935 - (1R,15R,17S)-17-Ethyl-6-[(1R,14R,15E)-15-ethylidene-17,18-dimethyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene

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ChEBI ID	CHEBI:180935
ChEBI Name	(1R,15R,17S)-17-Ethyl-6-[(1R,14R,15E)-15-ethylidene-17,18-dimethyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C39H48N4
Net Charge	0
Average Mass	572.841
Monoisotopic Mass	572.38790
SMILES	C/C=C1/CN(C)[C@@H]2Cc3c(nc4ccccc34)C(c3ccc4c5c(nc4c3)[C@@H]3C[C@H]4C[C@H](CC)C3N(CC5)C4)C[C@@H]1C2C
InChI	InChI=1S/C39H48N4/c1-5-24-15-23-16-33-37-29(13-14-43(20-23)39(24)33)28-12-11-26(17-35(28)41-37)31-18-30-22(3)36(42(4)21-25(30)6-2)19-32-27-9-7-8-10-34(27)40-38(31)32/h6-12,17,22-24,30-31,33,36,39-41H,5,13-16,18-21H2,1-4H3/b25-6-/t22?,23-,24+,30-,31?,33+,36-,39?/m1/s1
InChIKey	YLAZAOODGHUDSX-IBRDHRLJSA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	(1R,15R,17S)-17-Ethyl-6-[(1R,14R,15E)-15-ethylidene-17,18-dimethyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene (CHEBI:180935) is a alkaloid (CHEBI:22315)