|
Record Information |
|---|
| Version |
1.0 |
|---|
| Update Date |
1/22/2018 11:54:54 AM |
|---|
|
Metabolite ID | PAMDB110000 |
|---|
|
Identification |
|---|
| Name: |
N5-carboxyaminoimidazole ribonucleotide |
|---|
| Description: | Trianion of 5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole arising from deprotonation of phosphate and carbamic acid functions. |
|---|
|
Structure |
|
|---|
| Synonyms: | -
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
-
5-phosphoribosyl-5-carboxyaminoimidazole
-
N5-CAIR
|
|---|
|
Chemical Formula: |
C9H11N3O9P
|
|---|
| Average Molecular Weight: |
336.17 |
|---|
| Monoisotopic Molecular
Weight: |
339.0467655739 |
|---|
| InChI Key: |
JHLXDWGVSYMXPL-XVFCMESISA-K |
|---|
| InChI: |
InChI=1S/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)/p-3/t4-,6-,7-,8-/m1/s1 |
|---|
| CAS
number: |
Not Available |
|---|
| IUPAC Name: | N- carboxylato-1-(5-O-phosphonato-β-D-ribofuranosyl)-1H-imidazol-5-amine |
|---|
|
Traditional IUPAC Name: |
3-{3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}imidazol-4-ylcarbamic acid |
|---|
| SMILES: | C(OP([O-])([O-])=O)C2(C(O)C(O)C(N1(C=NC=C(NC(=O)[O-])1))O2) |
|---|
|
Chemical Taxonomy |
|---|
|
Taxonomy Description | This compound belongs to the class of chemical entities known as pentose phosphates. These are carbohydrate derivatives containing a pentose substituted by one or more phosphate groups. |
|---|
|
Kingdom |
Chemical entities |
|---|
| Super Class | Organic compounds |
|---|
|
Class |
Organic oxygen compounds |
|---|
| Sub Class | Organooxygen compounds |
|---|
|
Direct Parent |
Pentose phosphates |
|---|
| Alternative Parents |
|
|---|
| Substituents |
- Pentose phosphate
- Pentose-5-phosphate
- Imidazole ribonucleoside
- Glycosyl compound
- N-glycosyl compound
- Monosaccharide phosphate
- Monoalkyl phosphate
- N-substituted imidazole
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Alkyl phosphate
- Azole
- Tetrahydrofuran
- Imidazole
- Heteroaromatic compound
- 1,2-diol
- Secondary alcohol
- Carbamic acid
- Carbamic acid derivative
- Carbonic acid derivative
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Alcohol
- Organonitrogen compound
- Aromatic heteromonocyclic compound
|
|---|
| Molecular Framework |
Aromatic heteromonocyclic compounds |
|---|
| External Descriptors |
Not Available |
|---|
|
Physical Properties |
|---|
| State: |
Solid |
|---|
| Charge: | -3 |
|---|
|
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: |
- superpathway of histidine, purine, and pyrimidine biosynthesisPRPP-PWY
- superpathway of purine nucleotides de novo biosynthesis IIDENOVOPURINE2-PWY
- inosine-5'-phosphate biosynthesis IPWY-6123
|
|---|
|
Spectra |
|---|
| Spectra: |
|
|---|
|
References |
|---|
| References: |
Not Available |
|---|
| Synthesis Reference: |
Not Available |
|---|
| Material Safety Data Sheet (MSDS) |
Not Available |
|---|
|
Links |
|---|
| External Links: |
|
|---|
