| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation Date | 2016-10-03 18:33:42 UTC |
|---|
| Update Date | 2020-04-22 15:48:53 UTC |
|---|
| BMDB ID | BMDB0012177 |
|---|
| Secondary Accession Numbers | |
|---|
| Metabolite Identification |
|---|
| Common Name | 5-Methyltetrahydropteroyltri-L-glutamate |
|---|
| Description | 5-Methyltetrahydropteroyltri-L-glutamic acid 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) . 5-Methyltetrahydropteroyltri-L-glutamic acid exists in all living species, ranging from bacteria to plants to humans. Based on a literature review very few articles have been published on 5-Methyltetrahydropteroyltri-L-glutamic acid. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 5-Methyltetrahydropteroyltri-L-glutamate | ChEBI | | 5-Methyltetrahydropteroyltri-L-glutamic acid | HMDB, Generator | | 5-Methyl-5,6,7,8-tetrahydropteroyl tri-gamma-L-glutamate | HMDB | | 5-Methyl-5,6,7,8-tetrahydropteroyl tri-γ-L-glutamate | HMDB | | 5-Methyltetrahydrofolate triglutamate | HMDB | | 5-Methyltetrahydropteroyl-gamma-glutamyl-gamma-glutamylglutamic acid | HMDB | | 5-Methyltetrahydropteroyl-γ-glutamyl-γ-glutamylglutamic acid | HMDB |
|
|---|
| Chemical Formula | C30H39N9O12 |
|---|
| Average Molecular Weight | 717.6838 |
|---|
| Monoisotopic Molecular Weight | 717.271817757 |
|---|
| IUPAC Name | (2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid |
|---|
| Traditional Name | (2S)-2-[(4S)-4-[(4S)-4-{[4-({[(6S)-2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl]methyl}amino)phenyl]formamido}-4-carboxybutanamido]-4-carboxybutanamido]pentanedioic acid |
|---|
| CAS Registry Number | Not Available |
|---|
| SMILES | CN1[C@@H](CNC2=CC=C(C=C2)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)CNC2=C1C(=O)N=C(N)N2 |
|---|
| InChI Identifier | InChI=1S/C30H39N9O12/c1-39-16(13-33-24-23(39)26(45)38-30(31)37-24)12-32-15-4-2-14(3-5-15)25(44)36-19(29(50)51)7-10-21(41)34-17(27(46)47)6-9-20(40)35-18(28(48)49)8-11-22(42)43/h2-5,16-19,32H,6-13H2,1H3,(H,34,41)(H,35,40)(H,36,44)(H,42,43)(H,46,47)(H,48,49)(H,50,51)(H4,31,33,37,38,45)/t16-,17-,18-,19-/m0/s1 |
|---|
| InChI Key | HVRNKDVLFAVCJF-VJANTYMQSA-N |
|---|
| Chemical Taxonomy |
|---|
| Description | 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) . |
|---|
| Kingdom | Organic compounds |
|---|
| Super Class | Organoheterocyclic compounds |
|---|
| Class | Pteridines and derivatives |
|---|
| Sub Class | Pterins and derivatives |
|---|
| Direct Parent | Tetrahydrofolic acids and derivatives |
|---|
| Alternative Parents | |
|---|
| Substituents | - Tetrahydrofolic acid or derivatives
- Alpha-oligopeptide
- Gamma-glutamyl alpha-amino acid
- Glutamic acid or derivatives
- Glutamine or derivatives
- Tetracarboxylic acid or derivatives
- N-acyl-l-alpha-amino acid
- Hippuric acid or derivatives
- Hippuric acid
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Aminobenzamide
- Alpha-amino acid or derivatives
- Aminobenzoic acid or derivatives
- Benzoic acid or derivatives
- Benzamide
- Tertiary aliphatic/aromatic amine
- Benzoyl
- Phenylalkylamine
- Aniline or substituted anilines
- Dialkylarylamine
- Aminopyrimidine
- Pyrimidone
- Secondary aliphatic/aromatic amine
- Pyrimidine
- Monocyclic benzene moiety
- Benzenoid
- N-acyl-amine
- Fatty acyl
- Fatty amide
- Vinylogous amide
- Heteroaromatic compound
- Amino acid or derivatives
- Tertiary amine
- Secondary carboxylic acid amide
- Amino acid
- Carboxamide group
- Secondary amine
- Azacycle
- Carboxylic acid derivative
- Carboxylic acid
- Hydrocarbon derivative
- Organonitrogen compound
- Organooxygen compound
- Organic oxide
- Organic nitrogen compound
- Organopnictogen compound
- Carbonyl group
- Primary amine
- Amine
- Organic oxygen compound
- Aromatic heteropolycyclic compound
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | |
|---|
| Ontology |
|---|
| Status | Expected but not Quantified |
|---|
| Origin | |
|---|
| Biofunction | Not Available |
|---|
| Application | Not Available |
|---|
| Cellular locations | Not Available |
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
