| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-09-30 23:26:27 UTC |
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| Update Date | 2020-04-22 15:18:43 UTC |
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| BMDB ID | BMDB0006824 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Dihydroneopterin phosphate |
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| Description | Dihydroneopterin 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. Dihydroneopterin phosphate exists in all living species, ranging from bacteria to plants to humans. Based on a literature review a significant number of articles have been published on Dihydroneopterin phosphate. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphate | ChEBI | | 7,8-Dihydroneopterin 3'-phosphate | Kegg | | 2-Amino-4-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)dihydropteridine phosphoric acid | Generator | | 7,8-Dihydroneopterin 3'-phosphoric acid | Generator | | Dihydroneopterin phosphoric acid | Generator | | 2-Amino-6-[(1S,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-7,8-dihydro-4(3H)-pteridinone | HMDB | | 7,8-Dihydroneopterin 3’-phosphate | HMDB | | Dihydroneopterin phosphate | HMDB |
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| Chemical Formula | C9H14N5O7P |
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| Average Molecular Weight | 335.2105 |
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| Monoisotopic Molecular Weight | 335.063084339 |
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| IUPAC Name | [(2R,3S)-3-(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropoxy]phosphonic acid |
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| Traditional Name | (2R,3S)-3-(2-amino-4-oxo-7,8-dihydro-1H-pteridin-6-yl)-2,3-dihydroxypropoxyphosphonic acid |
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| CAS Registry Number | Not Available |
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| SMILES | NC1=NC2=C(N=C(CN2)[C@H](O)[C@H](O)COP(O)(O)=O)C(=O)N1 |
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| InChI Identifier | InChI=1S/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)/t4-,6+/m1/s1 |
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| InChI Key | PLSQMGZYOGSOCE-XINAWCOVSA-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
- Secondary aliphatic/aromatic amine
- Monoalkyl phosphate
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Pyrimidine
- Alkyl phosphate
- Heteroaromatic compound
- Vinylogous amide
- 1,2-diol
- Ketimine
- Secondary alcohol
- Azacycle
- Organic 1,3-dipolar compound
- Secondary amine
- Propargyl-type 1,3-dipolar organic compound
- Amine
- Hydrocarbon derivative
- Primary amine
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Alcohol
- Imine
- Organic oxygen compound
- Organic nitrogen 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 | 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 | |
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| Spectra |
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| Spectra | |
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