CHEBI:219052 - Imizoquin B

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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 B
ChEBI ID CHEBI:219052
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H30N4O10
Net Charge 0
Average Mass 582.566
Monoisotopic Mass 582.19619
InChI InChI=1S/C28H30N4O10/c1-42-24-22(36)20-15(21(35)23(24)37)8-19(26(38)31-18(28(40)41)6-12(10-33)11-34)32-25(20)30-17(27(32)39)7-13-9-29-16-5-3-2-4-14(13)16/h2-5,9,12,17-19,25,29-30,33-34,37H,6-8,10-11H2,1H3,(H,31,38)(H,40,41)/t17-,18-,19?,25-/m0/s1
InChIKey WNNUBADUWBMWKO-CSQDBYODSA-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)CO
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 B (CHEBI:219052) 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-(hydroxymethyl)pentanoic acid