| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-10-03 18:35:26 UTC |
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| Update Date | 2020-04-22 15:49:26 UTC |
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| BMDB ID | BMDB0012278 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Phosphoribulosylformimino-AICAR-P |
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| Description | Phosphoribulosylformimino-AICAR-P, also known as prfar, belongs to the class of organic compounds known as 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond. Phosphoribulosylformimino-AICAR-P is a very strong basic compound (based on its pKa). Phosphoribulosylformimino-AICAR-P exists in all living species, ranging from bacteria to humans. |
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| Structure | |
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| Synonyms | | Value | Source |
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| Phosphoribulosyl-formimino-aicar-p | HMDB | | Phosphoribulosylformiminoaicar-phosphate | HMDB | | Prfar | HMDB |
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| Chemical Formula | C15H25N5O15P2 |
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| Average Molecular Weight | 577.331 |
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| Monoisotopic Molecular Weight | 577.082238179 |
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| IUPAC Name | {[(2R,3R)-5-[(E)-N'-{4-carbamoyl-1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-1H-imidazol-5-yl}methenimidamido]-2,3-dihydroxy-4-oxopentyl]oxy}phosphonic acid |
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| Traditional Name | [(2R,3R)-5-[(E)-N'-{5-carbamoyl-3-[(2S,3S,4R,5S)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]imidazol-4-yl}methenimidamido]-2,3-dihydroxy-4-oxopentyl]oxyphosphonic acid |
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| CAS Registry Number | Not Available |
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| SMILES | O[C@H](COP(=O)(O)O)[C@@H](O)C(=O)CN\C=N\C1=C(C(=O)N)N=CN1[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]1O |
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| InChI Identifier | InChI=1S/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,29)(H2,30,31,32)/t7-,8+,10+,11+,12+,15+/m1/s1 |
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| InChI Key | BLKFNHOCHNCLII-IIZOACFYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as 1-ribosyl-imidazolecarboxamides. These are organic compounds containing the imidazole ring linked to a ribose ring through a 1-2 bond. |
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| Kingdom | Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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| Class | Imidazole ribonucleosides and ribonucleotides |
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| Sub Class | 1-ribosyl-imidazolecarboxamides |
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| Direct Parent | 1-ribosyl-imidazolecarboxamides |
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| Alternative Parents | |
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| Substituents | - 1-ribosyl-imidazolecarboxamide
- Pentose-5-phosphate
- Pentose phosphate
- Glycosyl compound
- N-glycosyl compound
- Pentose monosaccharide
- Monosaccharide phosphate
- 2-heteroaryl carboxamide
- Monoalkyl phosphate
- Imidazole-4-carbonyl group
- Organic phosphoric acid derivative
- Alkyl phosphate
- Beta-hydroxy ketone
- Acyloin
- Phosphoric acid ester
- N-substituted imidazole
- Monosaccharide
- Alpha-hydroxy ketone
- Azole
- Imidazole
- Heteroaromatic compound
- Vinylogous amide
- Tetrahydrofuran
- Secondary alcohol
- Primary carboxylic acid amide
- Carboxamide group
- Ketone
- Oxacycle
- Organoheterocyclic compound
- Propargyl-type 1,3-dipolar organic compound
- Azacycle
- Organic 1,3-dipolar compound
- Amidine
- Carboxylic acid derivative
- Formamidine
- Carboxylic acid amidine
- Organooxygen compound
- Organopnictogen compound
- Carbonyl group
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Alcohol
- Organic nitrogen compound
- Organonitrogen compound
- Aromatic heteromonocyclic compound
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| Molecular Framework | Aromatic heteromonocyclic compounds |
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| External Descriptors | Not Available |
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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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