MiMeDB: Showing metabocard for Aspartylglycosamine (MMDBc0000350)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:35:54 UTC

Update Date

2022-08-31 06:02:31 UTC

MiMeDB ID

MMDBc0000350

Metabolite Identification

Common Name

Aspartylglycosamine

Description

Aspartylglycosamine, also known as n4-(beta-N-acetyl-D-glucosaminyl)-L-asparagine or 1-beta-aspartyl-N-acetyl-D-glucosaminylamine, is a member of the class of compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Aspartylglycosamine is soluble (in water) and a moderately acidic compound (based on its pKa). Aspartylglycosamine can be found primarily in urine, as well as in human spleen tissue. Within the cell, aspartylglycosamine is primarily located in the cytoplasm. Moreover, aspartylglycosamine is found to be associated with aspartylglucosaminuria, which is an inborn error of metabolism. Large amount of aspartylglycosamine appears in patients with aspartylglycosaminuria corresponding to decreased activity of aspartylglycosamine amido hydrolase.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₂₁N₃O₈

Average Molecular Weight

335.3104

Monoisotopic Molecular Weight

335.132864663

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)/t5-,6+,8+,9+,10+,11+/m0/s1

InChI Key

YTTRPBWEMMPYSW-HRRFRDKFSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Feces
Placenta
Spleen
Urine

Tissue Locations

Placenta
Spleen

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	Reference
Aspartylglucosaminuria		This associated disease is originally imported from HMDB metabolite HMDB0000489 concentration id 136711	Association	Human Urine	6787338	details
Aspartylglucosaminuria	Increased	This associated disease is originally imported from HMDB metabolite HMDB0000489 concentration id 58916	Association	Human Urine	MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)	details
Aspartylglucosaminuria		This associated disease is originally imported from HMDB metabolite HMDB0000489 concentration id 58917	Association	Human Urine	MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)	details

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Bacteroidetes	3		Indirect association between microbiota composition and metabolites measured in host biospecimen;
	Firmicutes	2	Human	Indirect association between microbiota composition and metabolites measured in host biospecimen

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 Feces	Detected but not Quantified							HMDB		details
Human	Detected and Quantified	70.383	30.420	97.621	Children (1-13 years old)	Both	Aspartylglucosaminuria	HMDB	6787338	details
Human	Detected and Quantified	87.680	39.963	166.0153	Adult (>18 years old)	Both	Aspartylglucosaminuria	HMDB	6787338	details
Human	Detected and Quantified	0			Adult (>18 years old)	Both	Normal	HMDB	6787338	details
Human	Detected and Quantified	0			Children (1 - 13 years old)	Both	Normal	HMDB	6787338	details
Human	Detected and Quantified	0.6	0.20	1.00	Adult (>18 years old)	Both	Aspartylglucosaminuria	HMDB	MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)	details
Human	Detected and Quantified	175.0	100.0	250.0	Children (1-13 years old)	Both	Aspartylglucosaminuria	HMDB	MetaGene: Metabolic & Genetic Information Center (MIC: http://www.metagene.de)	details
Human Placenta	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Spleen	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	27543620	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	29808030	details
Human	Detected but not Quantified							HMDB		details

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Haltia M, Palo J, Autio S: Aspartylglycosaminuria: a generalized storage disease. Morphological and histochemical studies. Acta Neuropathol. 1975;31(3):243-55. doi: 10.1007/BF00684563. [PubMed:1138532 ]
Mononen T, Mononen I, Matilainen R, Airaksinen E: High prevalence of aspartylglycosaminuria among school-age children in eastern Finland. Hum Genet. 1991 Jul;87(3):266-8. doi: 10.1007/BF00200902. [PubMed:1864600 ]
Mononen I, Kaartinen V, Mononen T: Amniotic fluid glycoasparagines in fetal aspartylglycosaminuria. J Inherit Metab Dis. 1988;11(2):194-8. doi: 10.1007/BF01799872. [PubMed:3139932 ]
Mononen I, Kaartinen V, Mononen T: Laboratory detection of aspartylglycosaminuria. Scand J Clin Lab Invest Suppl. 1988;191:7-11. [PubMed:3247584 ]
Hoffmann GF, Seppel CK, Holmes B, Mitchell L, Christen HJ, Hanefeld F, Rating D, Nyhan WL: Quantitative organic acid analysis in cerebrospinal fluid and plasma: reference values in a pediatric population. J Chromatogr. 1993 Jul 23;617(1):1-10. doi: 10.1016/0378-4347(93)80414-y. [PubMed:8376520 ]
Jalanko A, Tenhunen K, McKinney CE, LaMarca ME, Rapola J, Autti T, Joensuu R, Manninen T, Sipila I, Ikonen S, Riekkinen P Jr, Ginns EI, Peltonen L: Mice with an aspartylglucosaminuria mutation similar to humans replicate the pathophysiology in patients. Hum Mol Genet. 1998 Feb;7(2):265-72. doi: 10.1093/hmg/7.2.265. [PubMed:9425233 ]
Dunder U, Kaartinen V, Valtonen P, Vaananen E, Kosma VM, Heisterkamp N, Groffen J, Mononen I: Enzyme replacement therapy in a mouse model of aspartylglycosaminuria. FASEB J. 2000 Feb;14(2):361-7. doi: 10.1096/fasebj.14.2.361. [PubMed:10657992 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for Aspartylglycosamine (MMDBc0000350)

MOL for #<Metabolite:0x000055b76ded7748>

3D MOL for #<Metabolite:0x000055b76ded7748>

3D SDF for #<Metabolite:0x000055b76ded7748>

3D-SDF for #<Metabolite:0x000055b76ded7748>

PDB for #<Metabolite:0x000055b76ded7748>

3D PDB for #<Metabolite:0x000055b76ded7748>

SMILES for #<Metabolite:0x000055b76ded7748>

INCHI for #<Metabolite:0x000055b76ded7748>

Structure for #<Metabolite:0x000055b76ded7748>

3D Structure for #<Metabolite:0x000055b76ded7748>