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CHEBI:219063 - Imizoquin D

ChEBI IDCHEBI:219063
ChEBI NameImizoquin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H28N4O10
Net Charge0
Average Mass580.550
Monoisotopic Mass580.18054
SMILESCOc1c(O)c(O)c2c(c1O)-c1nc(C=C3C=Nc4ccccc43)c(O)n1C(C(=O)N[C@@H](CC(CO)CO)C(=O)O)C2
InChIInChI=1S/C28H28N4O10/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/h2-5,7,9,12,18-19,33-37,39H,6,8,10-11H2,1H3,(H,31,38)(H,40,41)/t18-,19?/m0/s1
InChIKeyYUQWCTIQZZQAKE-OYKVQYDMSA-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 D (CHEBI:219063) is a N-acyl-L-amino acid (CHEBI:21644)
IUPAC Name 
(2S)-5-hydroxy-4-(hydroxymethyl)-2-[[3,7,8,10-tetrahydroxy-2-(indol-3-ylidenemethyl)-9-methoxy-5,6-dihydroimidazo[2,1-a]isoquinoline-5-carbonyl]amino]pentanoic acid