(1S,4S,10R,12R)-12-[3-[[(3S,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-5-yl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione (CHEBI:205765)

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CHEBI:205765 - (1S,4S,10R,12R)-12-[3-[[(3S,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-5-yl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione

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ChEBI ID	CHEBI:205765
ChEBI Name	(1S,4S,10R,12R)-12-[3-[[(3S,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-5-yl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C32H32N6O4
Net Charge	0
Average Mass	564.646
Monoisotopic Mass	564.24850
SMILES	O=C1N[C@@H](Cc2cnc3ccc([C@@]45C[C@@H]6C(=O)N7CCC[C@H]7C(=O)N6[C@@H]4Nc4ccccc45)cc23)C(=O)N2CCC[C@H]12
InChI	InChI=1S/C32H32N6O4/c39-27-24-7-3-11-36(24)28(40)23(34-27)13-17-16-33-21-10-9-18(14-19(17)21)32-15-26-29(41)37-12-4-8-25(37)30(42)38(26)31(32)35-22-6-2-1-5-20(22)32/h1-2,5-6,9-10,14,16,23-26,31,33,35H,3-4,7-8,11-13,15H2,(H,34,39)/t23-,24+,25-,26+,31-,32+/m0/s1
InChIKey	LQDCHAOARKZZQM-CEQPYWFKSA-N

Species of Metabolite	Component	Source	Comments
Streptomycesspecies NHF165 (ncbitaxon:2175864)	-	PubMed (27679625)

ChEBI Ontology

Outgoing Relation(s)
	(1S,4S,10R,12R)-12-[3-[[(3S,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-5-yl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione (CHEBI:205765) is a pyrroloindole (CHEBI:48133)

IUPAC Name
(1S,4S,10R,12R)-12-[3-[[(3S,8aR)-1,4-dioxo-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-1H-indol-5-yl]-2,8,19-triazapentacyclo[10.7.0.02,10.04,8.013,18]nonadeca-13,15,17-triene-3,9-dione

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