|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 12:54:54 PM |
|---|
|
Metabolite ID | PAMDB110727 |
|---|
|
Identification |
|---|
| Name: |
7,8-dihydroneopterin |
|---|
| Description: | A neopterin where positions C-7 and C-8 have been hydrogenated. |
|---|
|
Structure |
|
|---|
| Synonyms: | -
2-amino-4-hydroxy-6-(D-erythro-1,2,3-trihydroxypropyl)-7,8-dihydropteridine
-
dihydroneopterin
-
2-amino-4-hydroxy-6-(D-erythro)-trihydroxypropyldihydropteridin
-
dihydro-neo-pterin
-
DHN
-
7,8-dihydro-D-neopterin
|
|---|
|
Chemical Formula: |
C9H13N5O4
|
|---|
| Average Molecular Weight: |
255.23 |
|---|
| Monoisotopic Molecular
Weight: |
255.0967539317 |
|---|
| InChI Key: |
YQIFAMYNGGOTFB-XINAWCOVSA-N |
|---|
| 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 |
|---|
| CAS
number: |
1218-98-0 |
|---|
| IUPAC Name: | 2-amino-6-[(1S,2R)-1,2,3-trihydroxypropyl]-7,8-dihydropteridin-4(3H)-one |
|---|
|
Traditional IUPAC Name: |
2-amino-6-(1,2,3-trihydroxypropyl)-7,8-dihydro-1H-pteridin-4-one |
|---|
| SMILES: | C1(NC2(N=C(N)NC(=O)C(N=C1C(O)C(O)CO)=2)) |
|---|
|
Chemical Taxonomy |
|---|
|
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. |
|---|
|
Kingdom |
Chemical entities |
|---|
| Super Class | Organic compounds |
|---|
|
Class |
Organoheterocyclic compounds |
|---|
| Sub Class | Pteridines and derivatives |
|---|
|
Direct Parent |
Biopterins and derivatives |
|---|
| Alternative Parents |
|
|---|
| 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
|
|---|
| Molecular Framework |
Aromatic heteropolycyclic compounds |
|---|
| External Descriptors |
|
|---|
|
Physical Properties |
|---|
| State: |
Solid |
|---|
| Charge: | 0 |
|---|
|
Melting point: |
Not Available |
|---|
| Experimental Properties: |
| Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties |
|
|---|
|
Biological Properties |
|---|
| Cellular Locations: |
Not Available |
|---|
| Reactions: | |
|---|
|
Pathways: |
|
|---|
|
Spectra |
|---|
| Spectra: |
|
|---|
|
References |
|---|
| 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
|
|---|
| Synthesis Reference: |
Not Available |
|---|
| Material Safety Data Sheet (MSDS) |
Download (PDF) |
|---|
|
Links |
|---|
| External Links: |
|
|---|
