MiMeDB: Showing metabocard for N6-(1,2-Dicarboxyethyl)-AMP (MMDBc0033168)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:37:28 UTC

Update Date

2024-10-15 18:31:01 UTC

Metabolite ID

MMDBc0033168

Metabolite Identification

Common Name

N6-(1,2-Dicarboxyethyl)-AMP

Description

Adenylosuccinate (N6-(1,2-Dicarboxyethyl)-AMP) is an intermediate in the intercoversion of purine nucleotides inosine monophosphate (IMP) and adenosine monophosphate (AMP). The enzyme adenylosuccinate synthase carries out the reaction by the addition of aspartate to IMP and requires the input of energy from a phosphoanhydride bond in the form of guanosine triphosphate (GTP).[1] GTP is used instead of adenosine triphosphate (ATP), so the reaction is not dependent on its products.[Wikipedia ]

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
N6-(1,2-Dicarboxyethyl)AMP	Kegg
Adenylosuccinate	Kegg
Adenylosuccinic acid	Kegg
Aspartyl adenylate	HMDB
6-Succino-5'-adenylic acid	HMDB
6-Succino-5’-adenylic acid	HMDB
Adenylsuccinic acid	HMDB
N-[9-(5-O-Phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl]-L-aspartic acid	HMDB
N-[9-(5-O-Phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl]aspartic acid	HMDB
N-[9-(5-O-Phosphono-β-D-ribofuranosyl)-9H-purin-6-yl]-L-aspartic acid	HMDB
N-[9-(5-O-Phosphono-β-D-ribofuranosyl)-9H-purin-6-yl]aspartic acid	HMDB
Succinyl AMP	HMDB
Succinyladenosine 5'-monophosphate	HMDB
Succinyladenosine 5’-monophosphate	HMDB
Succinyladenosine monophosphoric acid	HMDB

Molecular Formula

C₁₄H₁₈N₅O₁₁P

Average Mass

463.2934

Monoisotopic Mass

463.074042955

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

19046-78-7

SMILES

Not Available

InChI Identifier

InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1

InChI Key

OFBHPPMPBOJXRT-VWJPMABRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Biphenyls and derivatives

Direct Parent

Biphenyls and derivatives

Alternative Parents

Substituents

Biphenyl
Alpha-amino acid or derivatives
Benzenesulfonamide
Benzenesulfonyl group
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
Medium-chain fatty acid
Alkyl aryl ether
Fatty acyl
Fatty acid
Unsaturated fatty acid
Organosulfonic acid amide
Aminosulfonyl compound
Organic sulfonic acid or derivatives
Organosulfonic acid or derivatives
Sulfonyl
Monocarboxylic acid or derivatives
Ether
Dialkyl ether
Carboxylic acid
Carboxylic acid derivative
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192229	Adenylosuccinate lyase	Enzyme	P30566	Homo sapiens
MMDBp0192498	Adenylosuccinate synthetase isozyme 2	Unknown	P30520	Homo sapiens
MMDBp0192502	Adenylosuccinate synthetase isozyme 1	Unknown	Q8N142	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown
Bacteria	Firmicutes	364	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle	Metabolic reconstruction
Bacteria	Proteobacteria	174	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool	Metabolic reconstruction
Bacteria	Actinobacteria	118	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	116	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva	Metabolic reconstruction
Bacteria	Synergistetes	3	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	19	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

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

External Links

HMDB ID

HMDB0000536

DrugBank ID

DB04418

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Adenylosuccinate

METLIN ID

Not Available

PubChem Compound

447145

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Van den Bergh F, Vincent MF, Jaeken J, Van den Berghe G: Residual adenylosuccinase activities in fibroblasts of adenylosuccinase-deficient children: parallel deficiency with adenylosuccinate and succinyl-AICAR in profoundly retarded patients and non-parallel deficiency in a mildly retarded girl. J Inherit Metab Dis. 1993;16(2):415-24. doi: 10.1007/BF00710291. [PubMed:8412002 ]

Showing metabocard for N6-(1,2-Dicarboxyethyl)-AMP (MMDBc0033168)

MOL for #<Metabolite:0x00007fab15a73448>

3D MOL for #<Metabolite:0x00007fab15a73448>

3D SDF for #<Metabolite:0x00007fab15a73448>

3D-SDF for #<Metabolite:0x00007fab15a73448>

PDB for #<Metabolite:0x00007fab15a73448>

3D PDB for #<Metabolite:0x00007fab15a73448>

SMILES for #<Metabolite:0x00007fab15a73448>

INCHI for #<Metabolite:0x00007fab15a73448>

Structure for #<Metabolite:0x00007fab15a73448>

3D Structure for #<Metabolite:0x00007fab15a73448>