MiMeDB: Showing metabocard for UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine (MMDBc0054691)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-06-05 23:24:38 UTC

Update Date

2022-08-12 20:09:03 UTC

MiMeDB ID

MMDBc0054691

Metabolite Identification

Common Name

UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine

Description

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
UDP-Mur2ac-L-ala-gamma-D-glu-a2PM-D-ala-D-ala	ChEBI
UDP-N-Acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine	ChEBI
UDP-N-Acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminopimelyl-D-alanyl-D-alanine	ChEBI
UDP-Mur2ac-L-ala-g-D-glu-a2PM-D-ala-D-ala	Generator
UDP-Mur2ac-L-ala-γ-D-glu-a2PM-D-ala-D-ala	Generator
UDP-N-Acetylmuramoyl-L-alanyl-g-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alaninate(4-)	Generator
UDP-N-Acetylmuramoyl-L-alanyl-g-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alaninic acid(4-)	Generator
UDP-N-Acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alaninic acid(4-)	Generator
UDP-N-Acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alaninate(4-)	Generator
UDP-N-Acetylmuramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alaninic acid(4-)	Generator
UDP-N-Acetyl-a-D-muramoyl-L-alanyl-g-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine	Generator
UDP-N-Acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine	Generator

Chemical Formula

C₄₁H₆₁N₉O₂₈P₂

Average Molecular Weight

1189.924

Monoisotopic Molecular Weight

1189.312320676

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C41H65N9O28P2/c1-15(32(58)45-17(3)37(62)63)44-35(61)21(8-6-7-20(42)38(64)65)47-25(53)10-9-22(39(66)67)48-33(59)16(2)43-34(60)18(4)74-31-27(46-19(5)52)40(76-23(13-51)29(31)56)77-80(71,72)78-79(69,70)73-14-24-28(55)30(57)36(75-24)50-12-11-26(54)49-41(50)68/h11-12,15-18,20-24,27-31,36,40,51,55-57H,6-10,13-14,42H2,1-5H3,(H,43,60)(H,44,61)(H,45,58)(H,46,52)(H,47,53)(H,48,59)(H,62,63)(H,64,65)(H,66,67)(H,69,70)(H,71,72)(H,49,54,68)/p-4/t15-,16+,17-,18-,20-,21+,22-,23-,24-,27-,28-,29-,30-,31-,36-,40-/m1/s1

InChI Key

IMWOXEZVYQDRDF-MCZXNMLPSA-J

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Pyrimidine nucleotide sugar
Pyrimidine ribonucleoside diphosphate
Pentose phosphate
Pentose-5-phosphate
N-acyl-alpha-hexosamine
Glutamine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Glycosyl compound
N-glycosyl compound
Alanine or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Monosaccharide phosphate
Organic pyrophosphate
Alpha-amino acid
D-alpha-amino acid
Tricarboxylic acid or derivatives
Pyrimidone
Fatty acyl
Fatty amide
Hydropyrimidine
Monosaccharide
N-acyl-amine
Organic phosphoric acid derivative
Oxane
Phosphoric acid ester
Pyrimidine
Alkyl phosphate
Acetamide
Heteroaromatic compound
Tetrahydrofuran
Vinylogous amide
Lactam
Urea
Amino acid
Carboxylic acid salt
Carboxamide group
Amino acid or derivatives
Secondary carboxylic acid amide
Secondary alcohol
Carboxylic acid
Ether
Organoheterocyclic compound
Azacycle
Oxacycle
Dialkyl ether
Organic salt
Organooxygen compound
Alcohol
Organic nitrogen compound
Primary aliphatic amine
Organic oxygen compound
Organopnictogen compound
Organic oxide
Primary alcohol
Primary amine
Hydrocarbon derivative
Carbonyl group
Amine
Organonitrogen compound
Organic anion
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

peptide anion (CHEBI:61386 )

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
	Firmicutes	61	Human Feces; Human
	Spirochaetes	17	Human ; Pig
	Proteobacteria	406	Human ; Pig ; Cattle ; Rat ; Sheep ; Human Feces; Lion ; Chicken ; American dog tick
	Actinobacteria	61	Cattle ; Human ; Human Feces
		1
	Cyanobacteria	28	Human
	Acidobacteria	3
	Bacteroidetes	14	Human
	Aquificae	2
	Chloroflexi	3
	Chlamydiae	10	Human ; Cat
	Chlorobi	11
	Deinococcus-Thermus	2
NULL	Proteobacteria	2
	Dictyoglomi	2
	Elusimicrobia	1
	Thermotogae	7
	Fusobacteria	1	Human
	Gemmatimonadetes	1
	Verrucomicrobia	2
Archaea	Euryarchaeota	1
	Nitrospirae	1

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

26332212

KEGG Compound ID

Not Available

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

25244658

PDB ID

Not Available

ChEBI ID

61386

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for UDP-N-acetyl-alpha-D-muramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimeloyl-D-alanyl-D-alanine (MMDBc0054691)

MOL for #<Metabolite:0x000055b76dfbddb0>

3D MOL for #<Metabolite:0x000055b76dfbddb0>

3D SDF for #<Metabolite:0x000055b76dfbddb0>

3D-SDF for #<Metabolite:0x000055b76dfbddb0>

PDB for #<Metabolite:0x000055b76dfbddb0>

3D PDB for #<Metabolite:0x000055b76dfbddb0>

SMILES for #<Metabolite:0x000055b76dfbddb0>

INCHI for #<Metabolite:0x000055b76dfbddb0>

Structure for #<Metabolite:0x000055b76dfbddb0>

3D Structure for #<Metabolite:0x000055b76dfbddb0>