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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120254 |
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Identification |
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| Name: |
pteroate |
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| Description: | Pteroate is a compound that is composed of Pterins with P-amino-benzoate at the 6 position on the pteridine ring. When conjugated to a GLT molecule, it is referred to as All-Folates. |
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Structure |
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| Synonyms: | - 4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate
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Chemical Formula: |
C14H11N6O3 |
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| Average Molecular Weight: |
311.279 |
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| Monoisotopic Molecular
Weight: |
312.09708 |
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| InChI Key: |
JOAQINSXLLMRCV-UHFFFAOYSA-M |
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| InChI: | InChI=1S/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)/p-1 |
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| CAS
number: |
Not Available |
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| IUPAC Name: | Not Available |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | C(NC1(C=CC(C(=O)[O-])=CC=1))C2(C=NC3(N=C(N)NC(=O)C(N=2)=3)) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moiety, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. |
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Kingdom |
Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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Class |
Pteridines and derivatives |
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| Sub Class | Pterins and derivatives |
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Direct Parent |
Pterins and derivatives |
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| Alternative Parents |
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| Substituents |
- Pterin
- Aminobenzoic acid
- Aminobenzoic acid or derivatives
- Benzoic acid or derivatives
- Benzoic acid
- Benzoyl
- Aniline or substituted anilines
- Phenylalkylamine
- Aminopyrimidine
- Pyrimidone
- Secondary aliphatic/aromatic amine
- Aralkylamine
- Benzenoid
- Pyrimidine
- Pyrazine
- Monocyclic benzene moiety
- Vinylogous amide
- Heteroaromatic compound
- Amino acid
- Amino acid or derivatives
- Azacycle
- Secondary amine
- Carboxylic acid derivative
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Hydrocarbon derivative
- Organic nitrogen compound
- Organonitrogen compound
- Amine
- Organic oxide
- Organopnictogen compound
- Organooxygen compound
- Primary amine
- Organic oxygen compound
- Organic anion
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic compounds |
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| External Descriptors |
- pteroates, pteroate (CHEBI:26376)
- a pteroate (PTEROATE)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | Not Available |
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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: |
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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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