MiMeDB: Showing metabocard for N5-methyl--tetrahydropteroyl tri-L-glutamate (MMDBc0032122)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 02:03:18 UTC

Update Date

2022-08-31 18:30:43 UTC

MiMeDB ID

MMDBc0032122

Metabolite Identification

Common Name

N5-methyl--tetrahydropteroyl tri-L-glutamate

Description

N5-methyl--tetrahydropteroyl tri-L-glutamate is an intermediate in pathways L-methionine biosynthesis I and S-adenosyl-L-methionine cycle I in E.coli. It is a substrate for enzyme cobalamin-independent homocysteine transmethylase in both pathways and a substrate for enzyme cobalamin-dependent methionine synthase in pathway L-methionine biosynthesis I (BioCyc compound: CPD-1302).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
5-Methyltetrahydropteroyltri-L-glutamate	ChEBI
5-Methyltetrahydropteroyltri-L-glutamate tetraanion	ChEBI
5-Methyltetrahydropteroyltri-L-glutamic acid	Generator
5-Methyltetrahydropteroyltri-L-glutamic acid tetraanion	Generator
N5-Methyl--tetrahydropteroyl tri-L-glutamic acid	Generator

Chemical Formula

C₃₀H₃₅N₉O₁₂

Average Molecular Weight

713.663

Monoisotopic Molecular Weight

713.242711923

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

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)/p-4/t16-,17-,18-,19-/m0/s1

InChI Key

HVRNKDVLFAVCJF-VJANTYMQSA-J

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
Alpha-amino acid or derivatives
Aminobenzamide
Aminobenzoic acid or derivatives
Benzoic acid or derivatives
Benzamide
Benzoyl
Phenylalkylamine
Aniline or substituted anilines
Dialkylarylamine
Tertiary aliphatic/aromatic amine
Aminopyrimidine
Pyrimidone
Secondary aliphatic/aromatic amine
Pyrimidine
Monocyclic benzene moiety
Benzenoid
N-acyl-amine
Fatty acyl
Fatty amide
Vinylogous amide
Heteroaromatic compound
Tertiary amine
Amino acid or derivatives
Secondary carboxylic acid amide
Amino acid
Carboxamide group
Secondary amine
Carboxylic acid derivative
Carboxylic acid
Azacycle
Carbonyl group
Hydrocarbon derivative
Organooxygen compound
Primary amine
Organic oxide
Organic nitrogen compound
Organopnictogen compound
Organonitrogen compound
Amine
Organic oxygen compound
Organic anion
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

peptide anion (CHEBI:58207 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Proteobacteria	1	Human	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

49852302

PDB ID

Not Available

ChEBI ID

58207

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]

Showing metabocard for N5-methyl--tetrahydropteroyl tri-L-glutamate (MMDBc0032122)

MOL for #<Metabolite:0x000055b76a820c90>

3D MOL for #<Metabolite:0x000055b76a820c90>

3D SDF for #<Metabolite:0x000055b76a820c90>

3D-SDF for #<Metabolite:0x000055b76a820c90>

PDB for #<Metabolite:0x000055b76a820c90>

3D PDB for #<Metabolite:0x000055b76a820c90>

SMILES for #<Metabolite:0x000055b76a820c90>

INCHI for #<Metabolite:0x000055b76a820c90>

Structure for #<Metabolite:0x000055b76a820c90>

3D Structure for #<Metabolite:0x000055b76a820c90>