CHEBI:213395 - 4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid

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ChEBI Name 4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid
ChEBI ID CHEBI:213395
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000004097885
Download Molfile XML SDF
Formula C22H28O9
Net Charge 0
Average Mass 436.457
Monoisotopic Mass 436.17333
InChI InChI=1S/C22H28O9/c1-3-5-7-8-12(10-14-17(18(24)25)22(29)31-19(14)26)16-15(20(27)30-21(16)28)11-13(23)9-6-4-2/h12,22,29H,3-11H2,1-2H3,(H,24,25)/t12-,22?/m1/s1
InChIKey DRGWSKBRJPFAJT-PMOHQLOOSA-N
SMILES O=C1OC(=O)C(=C1[C@@H](CC=2C(=O)OC(C2C(=O)O)O)CCCCC)CC(=O)CCCC
Metabolite of Species Details
Diffractella curvata (NCBI:txid2819868) See: PubMed
ChEBI Ontology
Outgoing 4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid (CHEBI:213395) has functional parent tetracarboxylic acid (CHEBI:35742)
4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid (CHEBI:213395) is a organooxygen compound (CHEBI:36963)
IUPAC Name
4-[(2R)-2-[2,5-dioxo-4-(2-oxohexyl)uran-3-yl]heptyl]-2-hydroxy-5-oxo-2H-uran-3-carboxylic acid