| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:22:58 UTC |
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| Update Date | 2020-04-22 15:45:59 UTC |
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| BMDB ID | BMDB0011690 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | 7-Aminomethyl-7-carbaguanine |
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| Description | 7-Aminomethyl-7-carbaguanine, also known as 7-deaza-7-aminomethyl-guanine or PREQ1, belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions. 7-Aminomethyl-7-carbaguanine is a very strong basic compound (based on its pKa). 7-Aminomethyl-7-carbaguanine exists in all living organisms, ranging from bacteria to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 7-DEAZA-7-aminomethyl-guanine | ChEBI | | 7-Aminomethyl-7-deazaguanine | Kegg | | PreQ1 | HMDB |
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| Chemical Formula | C7H9N5O |
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| Average Molecular Weight | 179.1793 |
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| Monoisotopic Molecular Weight | 179.080709935 |
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| IUPAC Name | 2-amino-5-(aminomethyl)-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one |
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| Traditional Name | 7-aminomethyl-7-deazaguanine |
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| CAS Registry Number | Not Available |
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| SMILES | NCC1=CNC2=C1C(=O)NC(N)=N2 |
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| InChI Identifier | InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13) |
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| InChI Key | MEYMBLGOKYDGLZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions. |
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| Kingdom | Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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| Class | Pyrrolopyrimidines |
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| Sub Class | Pyrrolo[2,3-d]pyrimidines |
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| Direct Parent | Pyrrolo[2,3-d]pyrimidines |
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| Alternative Parents | |
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| Substituents | - Pyrrolo[2,3-d]pyrimidine
- Aralkylamine
- Hydroxypyrimidine
- Substituted pyrrole
- Pyrimidine
- Heteroaromatic compound
- Pyrrole
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Amine
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Primary aliphatic amine
- Organopnictogen compound
- Organic oxygen 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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