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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 | PAMDB110732 |
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Identification |
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| Name: |
7,8-dihydropteroate |
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| Description: | A pteroate that is the conjugate base of 7,8-dihydropteroic acid, arising from deprotonation of the carboxy group. |
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Structure |
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| Synonyms: | -
dihydropterate
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H2Pte
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dihydropteroate
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Chemical Formula: |
C14H13N6O3
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| Average Molecular Weight: |
313.3 |
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| Monoisotopic Molecular
Weight: |
314.1127383469 |
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| InChI Key: |
WBFYVDCHGVNRBH-UHFFFAOYSA-M |
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| InChI: |
InChI=1S/C14H14N6O3/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/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)/p-1 |
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| CAS
number: |
2134-76-1 |
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| IUPAC Name: | 4-{[(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}benzoate |
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Traditional IUPAC Name: |
7,8-dihydropteroic acid |
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| SMILES: | C(NC1(=CC=C(C(=O)[O-])C=C1))C3(CNC2(=C(C(=O)NC(N)=N2)N=3)) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities 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 |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Organoheterocyclic compounds |
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| Sub Class | Pteridines 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
- Hydroxypyrimidine
- Secondary aliphatic/aromatic amine
- Monocyclic benzene moiety
- Pyrimidine
- Benzenoid
- Heteroaromatic compound
- Amino acid or derivatives
- Amino acid
- Ketimine
- Azacycle
- Secondary amine
- Organic 1,3-dipolar compound
- Propargyl-type 1,3-dipolar organic compound
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Carboxylic acid
- Organic nitrogen compound
- Imine
- Organonitrogen compound
- Organic oxide
- Organopnictogen compound
- Amine
- Organic oxygen compound
- Organooxygen compound
- Hydrocarbon derivative
- 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: | -1 |
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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: |
- Rébeillé F, Macherel D, Mouillon JM, Garin J, Douce R (1997)Folate biosynthesis in higher plants: purification and molecular cloning of a bifunctional 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase/7,8-dihydropteroate synthase localized in mitochondria. The EMBO journal 16, Pubmed: 9118956
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| Synthesis Reference: |
Bartels, Rainer; Bock, Lothar. Determination of pteroic acid by high-performance thin-layer chromatography. Contribution to the investigation of 7,8-dihydropteroate synthase. Journal of Chromatography (1994), 659(1), 185-9. |
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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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