CHEBI:1905 - 4-methylumbelliferone sulfate

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ChEBI Name 4-methylumbelliferone sulfate
ChEBI ID CHEBI:1905
Definition A member of the class of coumarins that is umbelliferone sulfate which carries a methyl group at position 4. It is a metabolite of 4-methylumbelliferone.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C10H8O6S
Net Charge 0
Average Mass 256.230
Monoisotopic Mass 256.00416
InChI InChI=1S/C10H8O6S/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H,12,13,14)
InChIKey FUYLLJCBCKRIAL-UHFFFAOYSA-N
SMILES OS(OC=1C=C2OC(C=C(C2=CC1)C)=O)(=O)=O
Roles Classification
Biological Role(s): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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ChEBI Ontology
Outgoing 4-methylumbelliferone sulfate (CHEBI:1905) has functional parent 4-methylumbelliferone (CHEBI:17224)
4-methylumbelliferone sulfate (CHEBI:1905) has functional parent umbelliferone sulfate (CHEBI:133565)
4-methylumbelliferone sulfate (CHEBI:1905) has role human xenobiotic metabolite (CHEBI:76967)
4-methylumbelliferone sulfate (CHEBI:1905) is a aryl sulfate (CHEBI:37919)
4-methylumbelliferone sulfate (CHEBI:1905) is a coumarins (CHEBI:23403)
4-methylumbelliferone sulfate (CHEBI:1905) is conjugate acid of 4-methylumbelliferone sulfate(1−) (CHEBI:144581)
Incoming 4-methylumbelliferone sulfate(1−) (CHEBI:144581) is conjugate base of 4-methylumbelliferone sulfate (CHEBI:1905)
IUPAC Name
4-methyl-2-oxo-2H-chromen-7-yl hydrogen sulfate
Synonyms Sources
(4-methyl-2-oxidanylidene-chromen-7-yl) hydrogen sulfate PDBeChem
(4-methyl-2-oxochromen-7-yl) hydrogen sulfate ChEBI
4-methyl-2-oxo-2H-1-benzopyran-7-yl hydrogen sulfate IUPAC
4-methyl-7-(sulfooxy)-2H-1-benzopyran-2-one ChemIDplus
4-methylumbelliferone sulfate KEGG COMPOUND
4-methylumbelliferyl sulfate KEGG COMPOUND
7-sulfooxy-4-methylcoumarin ChEBI
hymecromone 7-sulfate ChEBI
Manual Xrefs Databases
4P06 PDB
C11585 KEGG COMPOUND
MUX PDBeChem
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Registry Numbers Types Sources
25892-63-1 CAS Registry Number KEGG COMPOUND
25892-63-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
24601529 PubMed citation Europe PMC
35294 PubMed citation Europe PMC
3619646 PubMed citation Europe PMC
3713703 PubMed citation Europe PMC
8355186 PubMed citation Europe PMC
9425929 PubMed citation Europe PMC
Last Modified
20 August 2019