| Record Information |
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| Version | 2.0 |
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| Created at | 2024-09-11 23:11:21 UTC |
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| Updated at | 2024-09-11 23:11:22 UTC |
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| NP-MRD ID | NP0339713 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | 7,8-dihydroneopterin 3'-phosphate |
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| Description | 7,8-Dihydroneopterin 3'-phosphate 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 a small amount of articles have been published on 7,8-dihydroneopterin 3'-phosphate. |
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| Structure | NC1=NC2=C(N=C(CN2)C(O)C(O)COP([O-])([O-])=O)C(=O)N1 InChI=1/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/p-2 |
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| Synonyms | | Value | Source |
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| 7,8-Dihydroneopterin 3'-phosphoric acid | Generator |
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| Chemical Formula | C9H12N5O7P |
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| Average Mass | 333.1980 Da |
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| Monoisotopic Mass | 333.04853 Da |
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| IUPAC Name | 2-amino-6-[1,2-dihydroxy-3-(phosphonatooxy)propyl]-3,4,7,8-tetrahydropteridin-4-one |
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| Traditional Name | 2-amino-6-[1,2-dihydroxy-3-(phosphonatooxy)propyl]-7,8-dihydro-3H-pteridin-4-one |
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| CAS Registry Number | Not Available |
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| SMILES | NC1=NC2=C(N=C(CN2)C(O)C(O)COP([O-])([O-])=O)C(=O)N1 |
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| InChI Identifier | InChI=1/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)/p-2 |
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| InChI Key | PLSQMGZYOGSOCE-UHFFFAOYNA-L |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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| Chemical Taxonomy |
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| Description | This compound 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
- Secondary aliphatic/aromatic amine
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Pyrimidine
- Alkyl phosphate
- Imidolactam
- Heteroaromatic compound
- Vinylogous amide
- Secondary alcohol
- 1,2-diol
- Ketimine
- Lactam
- Secondary amine
- Azacycle
- Alcohol
- Amine
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Primary amine
- Hydrocarbon derivative
- Imine
- Organic oxygen compound
- Organic nitrogen compound
- Organic anion
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Physical Properties |
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| State | Not Available |
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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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