CHEBI:177558 - Apaziquone

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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 Apaziquone
ChEBI ID CHEBI:177558
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H16N2O4
Net Charge 0
Average Mass 288.303
Monoisotopic Mass 288.11101
InChI InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+
InChIKey MXPOCMVWFLDDLZ-NSCUHMNNSA-N
SMILES O=C1C(N2CC2)=CC(=O)C=3N(C(=C(C31)CO)/C=C/CO)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Apaziquone (CHEBI:177558) is a indoles (CHEBI:24828)
IUPAC Name
5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
Manual Xrefs Databases
4710342 ChemSpider
D02965 KEGG DRUG
DB12593 KEGG DRUG
View more database links
Registry Number Type Source
114560-48-4 CAS Registry Number ChemIDplus