CHEBI:89486 - 5C-aglycone

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 5C-aglycone ChEBI ID CHEBI:89486 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C16H16O4 Net Charge 0 Average Mass 272.296 Monoisotopic Mass 272.10486 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:txid9606) Found in urine (BTO:0001419). See: PubMed ChEBI Ontology Outgoing 5C-aglycone (CHEBI:89486) is a 1,4-naphthoquinones (CHEBI:132142) 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 2-methyl-4-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-yl)butanoic acid HMDB Manual Xref Database HMDB0004810 HMDB View more database links Registry Number Type Source 34927-45-2 CAS Registry Number KEGG COMPOUND 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