CHEBI:219046 - Imizoquin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Imizoquin A
ChEBI ID CHEBI:219046
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H30N4O9
Net Charge 0
Average Mass 566.567
Monoisotopic Mass 566.20128
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
SMILES O=C1C(OC)=C(O)C(=O)C2=C1[C@@H]3N(C(=O)[C@@H](N3)CC=4C5=C(C=CC=C5)NC4)C(C2)C(=O)N[C@H](C(=O)O)CC(CO)C
Metabolite of Species Details
Aspergillus flavus (NCBI:txid5059) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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