| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:31:10 UTC |
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| Update Date | 2020-05-11 20:47:23 UTC |
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| BMDB ID | BMDB0000468 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Biopterin |
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| Description | Biopterin, also known as pterin H B2 or orinapterin, belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland. Biopterin, with regard to humans, has been found to be associated with several diseases such as parkinson's disease, pterin-4a carbinolamine dehydratase deficiency, urocanase deficiency, and segawa syndrome; biopterin has also been linked to the inborn metabolic disorder sepiapterin reductase deficiency. Based on a literature review a significant number of articles have been published on Biopterin. |
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| Structure | |
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| Synonyms | | Value | Source |
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| (-)-Biopterin | ChEBI | | (1'r,1's) Biopterin | HMDB | | 2-Amino-6-(L-erythro-1,2-dihydroxypropyl)-4(3H)-pteridinone | HMDB | | 6-Biopterin | HMDB | | L-Biopterin | HMDB | | L-Erythro-biopterin | HMDB | | Pterin H b2 | HMDB | | [S-(R*,s*)]-2-amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone | HMDB | | Orinapterin | HMDB | | Dictyopterin | HMDB | | 2-Amino-6-(1,2-dihydroxypropyl)-4(1H)-pteridinone | HMDB | | Biopterin | MeSH |
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| Chemical Formula | C9H11N5O3 |
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| Average Molecular Weight | 237.2153 |
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| Monoisotopic Molecular Weight | 237.086189243 |
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| IUPAC Name | 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-4,8-dihydropteridin-4-one |
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| Traditional Name | 2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-8H-pteridin-4-one |
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| CAS Registry Number | 22150-76-1 |
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| SMILES | C[C@H](O)[C@H](O)C1=CNC2=NC(N)=NC(=O)C2=N1 |
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| InChI Identifier | InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)/t3-,6-/m0/s1 |
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| InChI Key | LHQIJBMDNUYRAM-DZSWIPIPSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as biopterins and derivatives. These are coenzymes containing a 2-amino-pteridine-4-one derivative. They are mainly synthesized in several parts of the body, including the pineal gland. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pteridines and derivatives |
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| Sub Class | Pterins and derivatives |
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| Direct Parent | Biopterins and derivatives |
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| Alternative Parents | |
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| Substituents | - Biopterin
- Aminopyrimidine
- Pyrimidone
- Pyrazine
- Pyrimidine
- Heteroaromatic compound
- Vinylogous amide
- 1,2-diol
- Secondary alcohol
- Azacycle
- Organic oxygen compound
- Alcohol
- Aromatic alcohol
- Hydrocarbon derivative
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Organic oxide
- Amine
- Organopnictogen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Status | Detected 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 | |
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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 | 0.7 mg/mL | Not Available | | LogP | Not Available | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | |
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