| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:22:08 UTC |
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| Update Date | 2020-04-22 15:45:43 UTC |
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| BMDB ID | BMDB0011639 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Topaquinone |
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| Description | Topaquinone belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Topaquinone is possibly soluble (in water) and a very strong basic compound (based on its pKa). Topaquinone exists in all living organisms, ranging from bacteria to humans. In cattle, topaquinone is involved in a few metabolic pathways, which include the tyrosine metabolism pathway, the beta-alanine metabolism pathway, and the histidine metabolism pathway. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (S)-a-Amino-6-hydroxy-3,4-dioxo-1,5-cyclohexadiene-1-propanoate | HMDB | | (S)-a-Amino-6-hydroxy-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid | HMDB | | (S)-alpha-Amino-6-hydroxy-3,4-dioxo-1,5-cyclohexadiene-1-propanoate | HMDB | | (S)-alpha-Amino-6-hydroxy-3,4-dioxo-1,5-cyclohexadiene-1-propanoic acid | HMDB | | 2,4,5-Trihydroxyphenylalanine quinone | HMDB | | 6-Hydroxydopa quinone | HMDB | | 6-Hydroxydopaquinone | HMDB | | a-Amino-6-hydroxy-3,4-dioxo-(as)-1,5-cyclohexadiene-1-propanoate | HMDB | | a-Amino-6-hydroxy-3,4-dioxo-(as)-1,5-cyclohexadiene-1-propanoic acid | HMDB | | alpha-Amino-6-hydroxy-3,4-dioxo-(as)-1,5-cyclohexadiene-1-propanoate | HMDB | | alpha-Amino-6-hydroxy-3,4-dioxo-(as)-1,5-cyclohexadiene-1-propanoic acid | HMDB | | O-Topaquinone | HMDB | | Topa quinone | HMDB | | TPQ | HMDB | | 6-Hydroxydopa quinone, (6-OH-3,4-dioxo)-tautomer | HMDB | | 6-Hydroxyphenylalanine-3,4-dione | HMDB |
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| Chemical Formula | C9H9NO5 |
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| Average Molecular Weight | 211.1715 |
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| Monoisotopic Molecular Weight | 211.048072403 |
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| IUPAC Name | Not Available |
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| Traditional Name | Not Available |
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| CAS Registry Number | 64192-68-3 |
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| SMILES | Not Available |
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| InChI Identifier | InChI=1S/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,11H,1,10H2,(H,14,15)/t5-/m0/s1 |
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| InChI Key | YWRFBISQAMHSIX-YFKPBYRVSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. |
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| Kingdom | Organic compounds |
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| Super Class | Organic acids and derivatives |
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| Class | Carboxylic acids and derivatives |
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| Sub Class | Amino acids, peptides, and analogues |
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| Direct Parent | L-alpha-amino acids |
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| Alternative Parents | |
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| Substituents | - L-alpha-amino acid
- O-benzoquinone
- Quinone
- Vinylogous acid
- Ketone
- Amino acid
- Cyclic ketone
- Carboxylic acid
- Enol
- Monocarboxylic acid or derivatives
- Amine
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Primary aliphatic amine
- Organopnictogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Aliphatic homomonocyclic compound
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| Molecular Framework | Aliphatic homomonocyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Status | Expected but not Quantified |
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| Origin | |
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| Biofunction | Not Available |
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| Application | Not Available |
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| Cellular locations | Not Available |
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| Physical Properties |
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| State | Solid |
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| Experimental Properties | | Property | Value | Reference |
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| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | Not Available |
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| Spectra |
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| Spectra | |
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