MiMeDB: Showing metabocard for (2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid (MMDBc0033033)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:31:54 UTC

Update Date

2022-08-31 22:20:59 UTC

MiMeDB ID

MMDBc0033033

Metabolite Identification

Common Name

(2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid

Description

Based on a literature review very few articles have been published on (2R,3R)-N-[(5S)-5-({[(2R)-2-amino-3-selanylpropanoyl]asparagyllysylasparagyl}amino)-6-asparagyltryptophyl-6-oxohexyl]-3-methyl-3,4-dihydro-2H-pyrrole-2-carboxamide.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₃H₁₉N₄O₁₂P

Average Molecular Weight

454.2833

Monoisotopic Molecular Weight

454.073708604

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

3031-95-6

SMILES

Not Available

InChI Identifier

InChI=1S/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)/t4?,5-,8-,9-,12-/m1/s1

InChI Key

NAQGHJTUZRHGAC-LBGUGVGYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Cerebrospinal Fluid (CSF)
Fibroblasts
Intestine
Urine

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
Adenylosuccinate lyase deficiency		This associated disease is originally imported from HMDB metabolite HMDB0000797 concentration id 15028	Association	Human Cerebrospinal Fluid (CSF)		15571235	details
Fumarase deficiency		This associated disease is originally imported from HMDB metabolite HMDB0000797 concentration id 136499	Association	Human Urine		24182348	details

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Fungi	Ascomycota	8	Human Feces	Unknown;
	Cyanobacteria	23
	Proteobacteria	278	Human ; Cattle ; Rat ; Sheep ; Chicken ; Human Feces; American dog tick
	Verrucomicrobia	1	Human
	Firmicutes	117	Human Feces; Human ; Catfish ; Cattle
	Aquificae	2
Archaea	Euryarchaeota	18
	Bacteroidetes	7	Human
	Actinobacteria	41	Human ; Cattle ; Human Feces
Archaea	Crenarchaeota	5
Archaea	Thaumarchaeota	2
	Chloroflexi	6
	Chlorobi	11
	Deinococcus-Thermus	3
NULL	Proteobacteria	2
	Elusimicrobia	1
	Fusobacteria	1	Human
	Spirochaetes	2
	Euryarchaeota	1	Human Feces
	Planctomycetes	1
	Crenarchaeota	1	Human Feces
		1
	Thermotogae	3
	Nitrospirae	1
	Tenericutes	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human	Detected and Quantified	921.0	0.0	1842.0	Adult (>18 years old)	Not Specified	Adenylosuccinate lyase deficiency	HMDB	15571235	details
Human	Detected and Quantified	<0.300			Infant (0-1 year old)	Male	Fumarase deficiency	HMDB	24182348	details
Human	Detected and Quantified	0			Adult (>18 years old)	Not Specified	Normal	HMDB	15114530	details
Human	Detected and Quantified	<1			Infant (0-1 year old)	Male	Normal	HMDB	24182348	details
Human Fibroblasts	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Intestine	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597	details

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

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Laikind PK, Seegmiller JE, Gruber HE: Detection of 5'-phosphoribosyl-4-(N-succinylcarboxamide)-5-aminoimidazole in urine by use of the Bratton-Marshall reaction: identification of patients deficient in adenylosuccinate lyase activity. Anal Biochem. 1986 Jul;156(1):81-90. doi: 10.1016/0003-2697(86)90158-2. [PubMed:3740420 ]
Wevers RA, Engelke UF, Moolenaar SH, Brautigam C, de Jong JG, Duran R, de Abreu RA, van Gennip AH: 1H-NMR spectroscopy of body fluids: inborn errors of purine and pyrimidine metabolism. Clin Chem. 1999 Apr;45(4):539-48. [PubMed:10102915 ]
Kmoch S, Hartmannova H, Stiburkova B, Krijt J, Zikanova M, Sebesta I: Human adenylosuccinate lyase (ADSL), cloning and characterization of full-length cDNA and its isoform, gene structure and molecular basis for ADSL deficiency in six patients. Hum Mol Genet. 2000 Jun 12;9(10):1501-13. doi: 10.1093/hmg/9.10.1501. [PubMed:10888601 ]
Race V, Marie S, Vincent MF, Van den Berghe G: Clinical, biochemical and molecular genetic correlations in adenylosuccinate lyase deficiency. Hum Mol Genet. 2000 Sep 1;9(14):2159-65. doi: 10.1093/hmg/9.14.2159. [PubMed:10958654 ]
Marinaki AM, Champion M, Kurian MA, Simmonds HA, Marie S, Vincent MF, van den Berghe G, Duley JA, Fairbanks LD: Adenylosuccinate lyase deficiency--first British case. Nucleosides Nucleotides Nucleic Acids. 2004 Oct;23(8-9):1231-3. doi: 10.1081/NCN-200027494. [PubMed:15571235 ]
Zikanova M, Krijt J, Hartmannova H, Kmoch S: Preparation of 5-amino-4-imidazole-N-succinocarboxamide ribotide, 5-amino-4-imidazole-N-succinocarboxamide riboside and succinyladenosine, compounds usable in diagnosis and research of adenylosuccinate lyase deficiency. J Inherit Metab Dis. 2005;28(4):493-9. doi: 10.1007/s10545-005-0493-z. [PubMed:15902552 ]
Keller KE, Tan IS, Lee YS: SAICAR stimulates pyruvate kinase isoform M2 and promotes cancer cell survival in glucose-limited conditions. Science. 2012 Nov 23;338(6110):1069-72. doi: 10.1126/science.1224409. Epub 2012 Oct 18. [PubMed:23086999 ]

Showing metabocard for (2S)-2-[5-Amino-1-(5-phospho-beta-D-ribosyl)imidazole-4-carboxamido]succinic acid (MMDBc0033033)

MOL for #<Metabolite:0x00007f455c054f58>

3D MOL for #<Metabolite:0x00007f455c054f58>

3D SDF for #<Metabolite:0x00007f455c054f58>

3D-SDF for #<Metabolite:0x00007f455c054f58>

PDB for #<Metabolite:0x00007f455c054f58>

3D PDB for #<Metabolite:0x00007f455c054f58>

SMILES for #<Metabolite:0x00007f455c054f58>

INCHI for #<Metabolite:0x00007f455c054f58>

Structure for #<Metabolite:0x00007f455c054f58>

3D Structure for #<Metabolite:0x00007f455c054f58>