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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB110727 |
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Identification |
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| Name: |
7,8-dihydroneopterin |
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| Description: | A neopterin where positions C-7 and C-8 have been hydrogenated. |
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Structure |
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| Synonyms: | -
2-amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine
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dihydroneopterin
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2-amino-4-hydroxy-6-(D-erythro)-trihydroxypropyldihydropteridin
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dihydro-neo-pterin
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DHN
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7,8-dihydro-D-neopterin
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Chemical Formula: |
C9H13N5O4
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| Average Molecular Weight: |
255.23 |
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| Monoisotopic Molecular
Weight: |
255.0967539317 |
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| InChI Key: |
YQIFAMYNGGOTFB-XINAWCOVSA-N |
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| InChI: |
InChI=1S/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)/t4-,6+/m1/s1 |
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| CAS
number: |
1218-98-0 |
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| IUPAC Name: | 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(3H)-one |
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Traditional IUPAC Name: |
2-amino-6-(1,2,3-trihydroxypropyl)-7,8-dihydro-1H-pteridin-4-one |
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| SMILES: | C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)CO)=2)) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities 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 |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organoheterocyclic compounds |
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| Sub Class | Pteridines 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
- Primary aromatic amine
- Pyrimidine
- Heteroaromatic compound
- Vinylogous amide
- Secondary alcohol
- Ketimine
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Azacycle
- Polyol
- Alcohol
- Organopnictogen compound
- Primary amine
- Primary alcohol
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Hydrocarbon derivative
- Imine
- Organic oxygen compound
- Organic nitrogen compound
- Amine
- 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: |
Solid |
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| Charge: | 0 |
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Melting point: |
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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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Wirleitner B, Obermoser G, Böck G, Neurauter G, Schennach H, Sepp N, Fuchs D (2003)Induction of apoptosis in human blood T cells by 7,8-dihydroneopterin: the difference between healthy controls and patients with systemic lupus erythematosus. Clinical immunology (Orlando, Fla.) 107, Pubmed: 12804528
- Roux A, Xu Y, Heilier JF, Olivier MF, Ezan E, Tabet JC, Junot C (2012)Annotation of the human adult urinary metabolome and metabolite identification using ultra high performance liquid chromatography coupled to a linear quadrupole ion trap-Orbitrap mass spectrometer. Analytical chemistry 84, Pubmed: 22770225
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Download (PDF) |
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Links |
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| External Links: |
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