| Record Information |
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| Version | 2.0 |
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| Created at | 2024-09-11 23:24:14 UTC |
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| Updated at | 2024-09-11 23:24:14 UTC |
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| NP-MRD ID | NP0339757 |
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| Secondary Accession Numbers | None |
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| Natural Product Identification |
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| Common Name | tetrahydropteroyl tri-L-glutamate |
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| Description | Tetrahydropteroyl tri-L-glutamate belongs to the class of organic compounds known as tetrahydrofolic acids and derivatives. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit (or a derivative thereof). Based on a literature review very few articles have been published on tetrahydropteroyl tri-L-glutamate. |
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| Structure | NC1=NC2=C(NC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)CN2)C(=O)N1 InChI=1/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/p-4 |
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| Synonyms | | Value | Source |
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| Tetrahydropteroyl tri-L-glutamic acid | Generator |
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| Chemical Formula | C29H33N9O12 |
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| Average Mass | 699.6360 Da |
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| Monoisotopic Mass | 699.22706 Da |
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| IUPAC Name | 2-(4-{4-[(4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxylatobutanamido}-4-carboxylatobutanamido)pentanedioate |
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| Traditional Name | 2-(4-{4-[(4-{[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methyl]amino}phenyl)formamido]-4-carboxylatobutanamido}-4-carboxylatobutanamido)pentanedioate |
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| CAS Registry Number | Not Available |
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| SMILES | NC1=NC2=C(NC(CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)CN2)C(=O)N1 |
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| InChI Identifier | InChI=1/C29H37N9O12/c30-29-37-23-22(25(44)38-29)33-15(12-32-23)11-31-14-3-1-13(2-4-14)24(43)36-18(28(49)50)6-9-20(40)34-16(26(45)46)5-8-19(39)35-17(27(47)48)7-10-21(41)42/h1-4,15-18,31,33H,5-12H2,(H,34,40)(H,35,39)(H,36,43)(H,41,42)(H,45,46)(H,47,48)(H,49,50)(H4,30,32,37,38,44)/p-4 |
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| InChI Key | RXWVHRYZTWZATH-UHFFFAOYNA-J |
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| Experimental Spectra |
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| Not Available | | Predicted Spectra |
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| Not Available | | Chemical Shift Submissions |
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| Not Available | | Species |
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| Species of Origin | Not Available |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of organic compounds known as tetrahydrofolic acids and derivatives. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit (or a derivative thereof). |
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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 | Tetrahydrofolic acids and derivatives |
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| Alternative Parents | |
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| Substituents | - Tetrahydrofolic acid or derivatives
- Alpha-oligopeptide
- Gamma-glutamyl alpha-amino acid
- Glutamic acid or derivatives
- Glutamine or derivatives
- Tetracarboxylic acid or derivatives
- Hippuric acid or derivatives
- Hippuric acid
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Aminobenzamide
- Aminobenzoic acid or derivatives
- Alpha-amino acid or derivatives
- Benzoic acid or derivatives
- Benzamide
- Phenylalkylamine
- Aniline or substituted anilines
- Benzoyl
- Aminopyrimidine
- Pyrimidone
- Secondary aliphatic/aromatic amine
- N-acyl-amine
- Monocyclic benzene moiety
- Pyrimidine
- Fatty acyl
- Fatty amide
- Imidolactam
- Benzenoid
- Vinylogous amide
- Heteroaromatic compound
- Amino acid or derivatives
- Amino acid
- Carboxamide group
- Secondary carboxylic acid amide
- Lactam
- Carboxylic acid
- Carboxylic acid derivative
- Azacycle
- Secondary amine
- Organic oxygen compound
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Amine
- Organic oxide
- Primary amine
- Organooxygen compound
- Organopnictogen compound
- Organonitrogen compound
- Organic anion
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | Not Available |
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| Physical Properties |
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| State | 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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