| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-27 02:00:23 UTC |
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| Update Date | 2016-11-09 01:22:39 UTC |
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| Accession Number | CHEM042380 |
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| Identification |
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| Common Name | pppGpp |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 9-[3-Hydroxy-5-({[hydroxy(phosphonatooxy)phosphoryl phosphonato]oxy}methyl)-4-{[hydroxy(phosphonatooxy)phosphoryl]oxy}oxolan-2-yl]-2-imino-3,9-dihydro-2H-purin-6-olic acid | Generator |
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| Chemical Formula | C10H12N5O20P5 |
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| Average Molecular Mass | 677.093 g/mol |
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| Monoisotopic Mass | 676.880 g/mol |
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| CAS Registry Number | Not Available |
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| IUPAC Name | hydrogen {[5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-4-hydroxy-2-{[({[(phosphonatooxy)phosphinato]oxy}phosphinato)oxy]methyl}oxolan-3-yl phosphonato]oxy}phosphonate |
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| Traditional Name | hydrogen [5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-2-({[(phosphonatooxyphosphinato)oxyphosphinato]oxy}methyl)oxolan-3-yl phosphonato]oxyphosphonate |
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| SMILES | NC1=NC2=C(N=CN2C2OC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C(OP([O-])(=O)OP(O)([O-])=O)C2O)C(=O)N1 |
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| InChI Identifier | InChI=1S/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/p-6 |
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| InChI Key | KCPMACXZAITQAX-UHFFFAOYSA-H |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as purine ribonucleoside triphosphates. These are purine ribobucleotides with a triphosphate group linked to the ribose moiety. |
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| Kingdom | Organic compounds |
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| Super Class | Nucleosides, nucleotides, and analogues |
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| Class | Purine nucleotides |
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| Sub Class | Purine ribonucleotides |
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| Direct Parent | Purine ribonucleoside triphosphates |
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| Alternative Parents | |
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| Substituents | - Purine ribonucleoside triphosphate
- Purine ribonucleoside 3',5'-bisphosphate
- Purine ribonucleoside bisphosphate
- Pentose phosphate
- Pentose-5-phosphate
- Ribonucleoside 3'-phosphate
- Glycosyl compound
- N-glycosyl compound
- Organic pyrophosphate
- 6-oxopurine
- Hypoxanthine
- Monosaccharide phosphate
- Purine
- Imidazopyrimidine
- Pyrimidone
- Aminopyrimidine
- Alkyl phosphate
- Monosaccharide
- Pyrimidine
- Organic phosphoric acid derivative
- N-substituted imidazole
- Phosphoric acid ester
- Tetrahydrofuran
- Heteroaromatic compound
- Azole
- Vinylogous amide
- Imidazole
- Lactam
- Secondary alcohol
- Organoheterocyclic compound
- Azacycle
- Oxacycle
- Primary amine
- Alcohol
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Amine
- Organooxygen compound
- Organonitrogen compound
- Organic anion
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | - a base derivative (GDP-TP )
- a purine-related compound (GDP-TP )
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | Not Available |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0304469 |
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| FooDB ID | FDB031126 |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | Not Available |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | Not Available |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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