CHEBI:89486 - 5C-aglycone

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ChEBI Name 5C-aglycone
ChEBI ID CHEBI:89486
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H16O4
Net Charge 0
Average Mass 272.296
Monoisotopic Mass 272.105
InChI InChI=1S/C16H16O4/c1-9(16(19)20)7-8-11-10(2)14(17)12-5-3-4-6-13(12)15(11)18/h3-6,9H,7-8H2,1-2H3,(H,19,20)
InChIKey ALLYVKRLOHDVKI-UHFFFAOYSA-N
SMILES C1(C(=C(C(C=2C=CC=CC12)=O)CCC(C)C(=O)O)C)=O
Metabolite of Species Details
Homo sapiens (NCBI:9606) Found in urine (BTO:0001419). See: PubMed
ChEBI Ontology
Outgoing 5C-aglycone (CHEBI:89486) is a 1,4-naphthoquinones (CHEBI:132142)
IUPAC Name
2-methyl-4-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)butanoic acid
Synonyms Sources
1,4-Dihydro-a,3-dimethyl-1,4-dioxo-2-Naphthalenebutanoate HMDB
1,4-Dihydro-a,3-dimethyl-1,4-dioxo-2-Naphthalenebutanoic acid HMDB
2-Methyl-3-(3'-3'-carboxymethylpropyl)-1,4-naphthoquinone HMDB
2-Methyl-3-(3'-carboxy-3'-methylpropyl)-1,4-naphthoquinone HMDB
2-Methyl-3-(3'-carboxybutyl)-1,4-naphthoquinone HMDB
2-Methyl-3-(3-carboxybutyl)-1,4-naphthoquinone HMDB
Database Link Database
HMDB0004810 HMDB
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Registry Number Type Source
34927-45-2 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
15722567 PubMed citation Europe PMC
17585028 PubMed citation Europe PMC
4833371 PubMed citation Europe PMC
7306367 PubMed citation Europe PMC
Last Modified
07 June 2016