Imizoquin A (CHEBI:219046)

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CHEBI:219046 - Imizoquin A

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ChEBI ID	CHEBI:219046
ChEBI Name	Imizoquin A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H30N4O9
Net Charge	0
Average Mass	566.567
Monoisotopic Mass	566.20128
SMILES	COC1=C(O)C(=O)C2=C(C1=O)[C@H]1N[C@@H](Cc3cnc4ccccc34)C(=O)N1C(C(=O)N[C@@H](CC(C)CO)C(=O)O)C2
InChI	InChI=1S/C28H30N4O9/c1-12(11-33)7-18(28(39)40)31-26(37)19-9-15-20(22(35)24(41-2)23(36)21(15)34)25-30-17(27(38)32(19)25)8-13-10-29-16-6-4-3-5-14(13)16/h3-6,10,12,17-19,25,29-30,33,36H,7-9,11H2,1-2H3,(H,31,37)(H,39,40)/t12?,17-,18-,19?,25-/m0/s1
InChIKey	VBZJPJIHROQJKY-RVEUGTSSSA-N

Species of Metabolite	Component	Source	Comments
Aspergillus flavus (ncbitaxon:5059)	-	PubMed (29182847)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Imizoquin A (CHEBI:219046) is a N-acyl-L-amino acid (CHEBI:21644)

IUPAC Name
(2S)-2-[[(2S,10bS)-8-hydroxy-2-(1H-indol-3-ylmethyl)-9-methoxy-3,7,10-trioxo-2,5,6,10b-tetrahydro-1H-imidazo[2,1-a]isoquinoline-5-carbonyl]amino]-5-hydroxy-4-methylpentanoic acid