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CHEBI:219052 - Imizoquin B

ChEBI IDCHEBI:219052
ChEBI NameImizoquin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H30N4O10
Net Charge0
Average Mass582.566
Monoisotopic Mass582.19619
SMILESCOC1=C(O)C(=O)C2=C(C1=O)[C@H]1N[C@@H](Cc3cnc4ccccc34)C(=O)N1C(C(=O)N[C@@H](CC(CO)CO)C(=O)O)C2
InChIInChI=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
InChIKeyWNNUBADUWBMWKO-CSQDBYODSA-N
Species of MetaboliteComponentSourceComments
Aspergillus flavus (ncbitaxon:5059) - PubMed (29182847)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
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