| Record Information |
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| Version | 1.0 |
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| Creation date | 2015-10-09 22:30:26 UTC |
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| Update date | 2017-01-19 02:36:22 UTC |
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| FoodComEx ID | PC000395 |
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| FoodDB Record | FDB022101 |
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| Chemical Information |
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| Name | Adenylsuccinic acid |
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| Description | Adenylsuccinic acid is a substrate of the enzyme adenylosuccinase [EC 4.3.2.2] in purine metabolism pathway. The accumulation of adenylsuccinic acid in body fluids occurs due to a deficiency of adenylosuccinase. (KEGG; PMID 8412002) [HMDB] |
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| CAS Number | 19046-78-7 |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| 6-Succino-5'-adenylate | hmdb | | 6-Succino-5'-adenylic acid | hmdb | | adenyl-Succinic acid | hmdb | | adenylosuccinate | hmdb | | adenylosuccinic acid | hmdb | | Adenylsuccinate | HMDB | | Aspartyl adenylate | hmdb | | D-Ribofuranosyl-9H-purin-6-yl) mono(dihydrogen ate) (ester) | HMDB | | D-ribofuranosyl-9H-purin-6-yl) mono(dihydrogen phosphate) (ester) | hmdb | | D-ribofuranosyl)-9H-purin-6-yl] | hmdb | | N(6)-(1,2-dicarboxyethyl)-AMP | hmdb | | N6-(1,2-Dicarboxyethyl)-AMP | ChEBI | | Succinyl AMP | hmdb | | Succinyladenosine 5'-monoate | HMDB | | Succinyladenosine 5'-monophosphate | hmdb | | Succinyladenosine monoorate | HMDB | | Succinyladenosine monooric acid | HMDB | | Succinyladenosine monophosphorate | hmdb | | Succinyladenosine monophosphoric acid | hmdb |
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| Chemical Formula | C14H18N5O11P |
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| IUPAC name | 2-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-9H-purin-6-yl}amino)butanedioic acid |
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| InChI Identifier | InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5?,6-,9-,10-,13-/m1/s1 |
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| InChI Key | OFBHPPMPBOJXRT-DPXQIYNJSA-N |
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| Isomeric SMILES | O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CN=C2NC(CC(O)=O)C(O)=O |
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| Average Molecular Weight | 463.2934 |
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| Monoisotopic Molecular Weight | 463.074042955 |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. |
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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 monophosphates |
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| Alternative Parents | |
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| Substituents | - Purine ribonucleoside monophosphate
- Pentose phosphate
- Pentose-5-phosphate
- Aspartic acid or derivatives
- Glycosyl compound
- N-glycosyl compound
- 6-alkylaminopurine
- 6-aminopurine
- Alpha-amino acid or derivatives
- Monosaccharide phosphate
- Pentose monosaccharide
- Imidazopyrimidine
- Purine
- Aminopyrimidine
- Secondary aliphatic/aromatic amine
- Monoalkyl phosphate
- Alkyl phosphate
- Pyrimidine
- Imidolactam
- Dicarboxylic acid or derivatives
- Phosphoric acid ester
- Monosaccharide
- N-substituted imidazole
- Organic phosphoric acid derivative
- Tetrahydrofuran
- Azole
- Imidazole
- Heteroaromatic compound
- Amino acid or derivatives
- 1,2-diol
- Secondary alcohol
- Amino acid
- Oxacycle
- Azacycle
- Secondary amine
- Carboxylic acid derivative
- Organoheterocyclic compound
- Carboxylic acid
- Organonitrogen compound
- Organopnictogen compound
- Carbonyl group
- Organic nitrogen compound
- Alcohol
- Organic oxide
- Amine
- Hydrocarbon derivative
- Organic oxygen compound
- Organooxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Physico-Chemical Properties - Experimental |
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| Property | Value | Reference |
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| Experimental logP | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Melting Point | Not Available | |
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| Foods of Origin |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Production Data |
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| Production Method | commercial |
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| Production Method Reference | Not Available |
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| Production Method Reference File | Not Available |
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| Quantity Available | Production upon request, up to 20 mg |
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| Delivery Time | Not Available |
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| Storage Form | solid |
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| Storage Conditions | -80°C |
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| Stability | Not Available |
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| Purity | Not Available |
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| Spectra |
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| Spectral Data Upon Request | Not Available |
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| Provider Information |
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| Commercial Vendors |
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| Not Available |
