Record Information |
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Version |
1.0 |
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Update Date |
1/22/2018 12:54:54 PM |
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Metabolite ID | PAMDB110734 |
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Identification |
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Name: |
6,7-dimethyl-8-(1-D-ribityl)lumazine |
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Description: | The anion formed from 6,7-dimethyl-8-(1-D-ribityl)lumazine by removal of a proton from the nitrogen at position 3 (i.e. between the oxo groups). It is the major species at physiological pH. |
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Structure |
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Synonyms: | |
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Chemical Formula: |
C13H17N4O6
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Average Molecular Weight: |
325.3 |
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Monoisotopic Molecular
Weight: |
326.1226343312 |
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InChI Key: |
SXDXRJZUAJBNFL-XKSSXDPKSA-M |
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InChI: |
InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/p-1/t7-,8+,10-/m0/s1 |
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CAS
number: |
5118-16-1 |
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IUPAC Name: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-2H-pteridin-3-id-8(4H)-yl)-D-ribitol |
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Traditional IUPAC Name: |
6,7-dimethyl-8-(2,3,4,5-tetrahydroxypentyl)-3H-pteridine-2,4-dione |
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SMILES: | CC2(=C(C)N(CC(O)C(O)C(O)CO)C1(C(C(=O)[N-]C(=O)N=1)=N2)) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as pteridines and derivatives. These are polycyclic aromatic compounds containing a pteridine moiety, which consists of a pyrimidine fused to a pyrazine ring to form pyrimido(4,5-b)pyrazine. |
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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 |
Pteridines and derivatives |
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Alternative Parents |
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Substituents |
- Pteridine
- Pyrimidone
- Pyrazine
- Pyrimidine
- Heteroaromatic compound
- Vinylogous amide
- Lactam
- Secondary alcohol
- Polyol
- Azacycle
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Primary alcohol
- Alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Aromatic heteropolycyclic compound
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Molecular Framework |
Aromatic heteropolycyclic compounds |
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External Descriptors |
Not Available |
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Physical Properties |
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State: |
Solid |
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Charge: | -1 |
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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 | -3.145 | 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: |
Not Available |
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Synthesis Reference: |
Not Available |
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Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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External Links: |
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