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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 | PAMDB110075 |
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Identification |
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| Name: |
salicylate-adenylate |
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| Description: | An organophosphate oxoanion obtained by deprotonation of the phosphate OH group of 2-hydroxybenzoyl-AMP; the major species at pH 7.3. |
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Structure |
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| Synonyms: | Not Available |
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Chemical Formula: |
C17H17N5O9P
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| Average Molecular Weight: |
467.0842137127 |
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| Monoisotopic Molecular
Weight: |
467.0842137127 |
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| InChI Key: |
AESBJQJIAHTCHE-XNIJJKJLSA-M |
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| InChI: |
InChI=1S/C17H18N5O9P/c18-14-11-15(20-6-19-14)22(7-21-11)16-13(25)12(24)10(30-16)5-29-32(27,28)31-17(26)8-3-1-2-4-9(8)23/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,27,28)(H2,18,19,20)/p-1/t10-,12-,13-,16-/m1/s1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | 5'-O-{[(2-hydroxybenzoyl)oxy]phosphinato}adenosine |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(C3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))OP(OC(C4(C=CC=CC(O)=4))=O)([O-])=O |
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Chemical Taxonomy |
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Taxonomy Description | This compound 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-5-phosphate
- Pentose phosphate
- N-glycosyl compound
- Glycosyl compound
- 6-aminopurine
- Salicylic acid or derivatives
- Pentose monosaccharide
- Monosaccharide phosphate
- Imidazopyrimidine
- Purine
- Benzoic acid or derivatives
- Benzoyl
- 1-hydroxy-4-unsubstituted benzenoid
- Aminopyrimidine
- Acyl phosphate
- Phenol
- 1-hydroxy-2-unsubstituted benzenoid
- Alkyl phosphate
- Benzenoid
- Pyrimidine
- Imidolactam
- Monosaccharide
- N-substituted imidazole
- Phosphoric acid ester
- Monocyclic benzene moiety
- Organic phosphoric acid derivative
- Tetrahydrofuran
- Imidazole
- Vinylogous acid
- Heteroaromatic compound
- Azole
- 1,2-diol
- Amino acid or derivatives
- Carboxylic acid salt
- Secondary alcohol
- Monocarboxylic acid or derivatives
- Oxacycle
- Azacycle
- Organoheterocyclic compound
- Carboxylic acid derivative
- Organonitrogen compound
- Organooxygen compound
- Organic oxygen compound
- Organic salt
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic nitrogen compound
- Amine
- Alcohol
- Primary amine
- Organic anion
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic compounds |
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| External Descriptors |
- a small molecule (CPD-12084)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | -1 |
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Melting point: |
Not Available |
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| Experimental Properties: |
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: |
Not Available |
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References |
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| References: |
- Quadri LE, Sello J, Keating TA, Weinreb PH, Walsh CT (1998)Identification of a Mycobacterium tuberculosis gene cluster encoding the biosynthetic enzymes for assembly of the virulence-conferring siderophore mycobactin. Chemistry & biology 5, Pubmed: 9831524
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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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