| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 22:37:26 UTC |
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| Update Date | 2020-05-11 20:53:05 UTC |
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| BMDB ID | BMDB0000845 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Neopterin |
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| Description | Neopterin 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. Based on a literature review very few articles have been published on Neopterin. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 6-(D-erythro-1,2,3-Trihydroxypropyl)pterin | HMDB | | 6-D-erythro-Neopterin | HMDB | | D-erythro-Neopterin | HMDB | | D-Neopterin | HMDB | | Neopterine | HMDB | | [S-(R*,s*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-ON | HMDB | | [S-(R*,s*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one | HMDB | | [S-(R*,s*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridine-4-one | HMDB | | Monapterin | MeSH, HMDB | | Neopterin, (r*, r*)-isomer | MeSH, HMDB | | Umanopterin | MeSH, HMDB | | Neopterin, (erythro-D)-isomer | MeSH, HMDB | | 2-amino-6-(1,2,3-Trihydroxypropyl)-4(3H)-pteridinone | MeSH, HMDB | | Neopterin, (erythro-L)-isomer | MeSH, HMDB | | Neopterin, (threo-D)-isomer | MeSH, HMDB | | Neopterin, (threo-L)-isomer | MeSH, HMDB |
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| Chemical Formula | C9H11N5O4 |
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| Average Molecular Weight | 253.2147 |
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| Monoisotopic Molecular Weight | 253.081103865 |
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| IUPAC Name | 2-amino-6-(1,2,3-trihydroxypropyl)-3,4-dihydropteridin-4-one |
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| Traditional Name | 2-amino-6-(1,2,3-trihydroxypropyl)-3H-pteridin-4-one |
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| CAS Registry Number | 2009-64-5 |
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| SMILES | NC1=NC2=C(N=C(C=N2)C(O)C(O)CO)C(=O)N1 |
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| InChI Identifier | InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18) |
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| InChI Key | BMQYVXCPAOLZOK-UHFFFAOYSA-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
- Secondary alcohol
- Polyol
- Azacycle
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Primary amine
- Primary alcohol
- Alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic oxygen compound
- Organic nitrogen compound
- Amine
- Aromatic alcohol
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic 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 | |
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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 | |
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| Spectra |
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| Spectra | |
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