CHEBI:219063 - Imizoquin D

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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 D
ChEBI ID CHEBI:219063
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C28H28N4O10
Net Charge 0
Average Mass 580.550
Monoisotopic Mass 580.18054
InChI InChI=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
InChIKey YUQWCTIQZZQAKE-OYKVQYDMSA-N
SMILES O=C(N[C@H](C(=O)O)CC(CO)CO)C1N2C(=NC(=C2O)C=C3C4=C(C=CC=C4)N=C3)C=5C(O)=C(OC)C(=C(C5C1)O)O
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 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