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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 | PAMDB110469 |
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Identification |
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| Name: |
ppGpp |
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| Description: | An organophosphate oxoanion that is a penta-anionic form of guanosine 3',5'-bis(diphosphate). It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). |
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Structure |
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| Synonyms: | -
guanosine tetraphosphate
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guanosine 5'-diphosphate,3'-diphosphate
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guanosine 3',5'-bispyrophosphate
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guanosine 3',5'-bis(diphosphate)
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guanosine 3'-diphosphate 5'-diphosphate
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magic spot
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guanosine-5',3'-tetraphosphate
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Chemical Formula: |
C10H12N5O17P4
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| Average Molecular Weight: |
598.12 |
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| Monoisotopic Molecular
Weight: |
602.9569901874 |
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| InChI Key: |
BUFLLCUFNHESEH-UUOKFMHZSA-I |
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| InChI: |
InChI=1S/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/p-5/t3-,5-,6-,9-/m1/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 5'- O-{[(hydroxyphosphinato)oxy]phosphinato}-3'-O-[(phosphonatooxy)phosphinato]guanosine |
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Traditional IUPAC Name: |
{hydroxy[(2R,3S,4R,5R)-4-hydroxy-2-({[hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-5-(6-hydroxy-2-imino-3H-purin-9-yl)oxolan-3-yl]oxyphosphoryl}oxyphosphonic acid |
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| SMILES: | C(OP(=O)([O-])OP(=O)(O)[O-])C1(OC(C(O)C(OP(=O)([O-])OP(=O)([O-])[O-])1)N3(C=NC2(C(=O)NC(N)=NC=23))) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as purine ribonucleoside diphosphates. These are purine ribobucleotides with diphosphate group linked to the ribose moiety. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Nucleosides, nucleotides, and analogues |
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| Sub Class | Purine nucleotides |
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Direct Parent |
Purine ribonucleoside diphosphates |
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| Alternative Parents |
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| Substituents |
- Purine ribonucleoside diphosphate
- Purine ribonucleoside bisphosphate
- Purine ribonucleoside 3',5'-bisphosphate
- Ribonucleoside 3'-phosphate
- Pentose-5-phosphate
- Pentose phosphate
- Glycosyl compound
- N-glycosyl compound
- Organic pyrophosphate
- Hypoxanthine
- 6-oxopurine
- Monosaccharide phosphate
- Purine
- Imidazopyrimidine
- Pyrimidone
- Monoalkyl phosphate
- Aminopyrimidine
- Monosaccharide
- N-substituted imidazole
- Organic phosphoric acid derivative
- Phosphoric acid ester
- Primary aromatic amine
- Alkyl phosphate
- Pyrimidine
- Vinylogous amide
- Tetrahydrofuran
- Azole
- Imidazole
- Heteroaromatic compound
- Secondary alcohol
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Amine
- Organopnictogen compound
- Hydrocarbon derivative
- Organic oxide
- Organic oxygen compound
- Primary amine
- Organonitrogen compound
- Organooxygen compound
- Organic nitrogen compound
- Alcohol
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Solid |
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| Charge: | -5 |
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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 | Not Available | 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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