MiMeDB: Showing metabocard for (alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein) (MMDBc0000767)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:54:30 UTC

Update Date

2024-09-29 06:22:12 UTC

Metabolite ID

MMDBc0000767

Metabolite Identification

Common Name

(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein)

Description

(±)-Alanine, also known as A or 2-aminopropanoate, belongs to the class of organic compounds known as alanine and derivatives. Alanine and derivatives are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom (±)-Alanine is a very strong basic compound (based on its pKa) (±)-Alanine exists in all living organisms, ranging from bacteria to humans (±)-Alanine is an odorless tasting compound. Outside of the human body, (±)-Alanine is found, on average, in the highest concentration within a few different foods, such as red bell peppers, green zucchinis, and green bell peppers and in a lower concentration in italian sweet red peppers. This could make (±)-alanine a potential biomarker for the consumption of these foods. An alpha-amino acid that consists of propionic acid bearing an amino substituent at position 2.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2-Aminopropanoic acid	ChEBI
2-Aminopropionic acid	ChEBI
A	ChEBI
ALA	ChEBI
Alanin	ChEBI
Alanina	ChEBI
2-Aminopropanoate	Generator
2-Aminopropionate	Generator
L-Isomer alanine	MeSH
Alanine	MeSH
Abufène	MeSH
L Alanine	MeSH
Alanine, L isomer	MeSH
Alanine, L-isomer	MeSH
L-Alanine	MeSH
Doms adrian brand OF alanine	MeSH, HMDB
Doms-adrian brand OF alanine	MeSH, HMDB
Alanine doms-adrian brand	MeSH, HMDB
(a-D-Mannosyl)7-b-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform a (protein)	Generator
(Α-D-mannosyl)7-β-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform a (protein)	Generator

Molecular Formula

C₃H₇NO₂

Average Mass

89.0932

Monoisotopic Mass

89.047678473

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)

InChI Key

QNAYBMKLOCPYGJ-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alanine and derivatives. Alanine and derivatives are compounds containing alanine or a derivative thereof resulting from reaction of alanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alanine and derivatives

Alternative Parents

Substituents

Alanine or derivatives
Alpha-amino acid
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxygen compound
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Organopnictogen compound
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

alpha-amino acid (CHEBI:16449 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood
Feces

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

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

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
Bacteria	Bacteroidetes	1	Human appendix biopsy; Human feces	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Proteobacteria	1	Human feces; Human urine	Indirect association between microbiota composition and metabolites measured in host biospecimen
Bacteria	Firmicutes	5	Human stool; Human ; Human feces; Human urine; Human sputum	Indirect association between microbiota composition and metabolites measured in host biospecimen

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Plant	Fruit	Cucurbita pepo var. cylindrica	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	All-Creatures
Plant		Capsicum annuum	FooDB	DTU
Plant	Fruit	Capsicum annuum	FooDB	DTU

Source Type	Activity	Data Source	Reference
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified							HMDB
Human Blood	Detected and Quantified	231.9	87.3	uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23313728
Human Blood	Detected and Quantified	323.8	151.2	uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23159745
Human Feces	Detected but not Quantified				Adult (>18 years old)	Not Specified	Normal	HMDB	25985090

External Links

HMDB ID

HMDB0062251

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB000557

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C01401

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Alanine

METLIN ID

Not Available

PubChem Compound

602

PDB ID

Not Available

ChEBI ID

16449

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Showing metabocard for (alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein) (MMDBc0000767)

MOL for #<Metabolite:0x00007fdb58a8ae90>

3D MOL for #<Metabolite:0x00007fdb58a8ae90>

3D SDF for #<Metabolite:0x00007fdb58a8ae90>

3D-SDF for #<Metabolite:0x00007fdb58a8ae90>

PDB for #<Metabolite:0x00007fdb58a8ae90>

3D PDB for #<Metabolite:0x00007fdb58a8ae90>

SMILES for #<Metabolite:0x00007fdb58a8ae90>

INCHI for #<Metabolite:0x00007fdb58a8ae90>

Structure for #<Metabolite:0x00007fdb58a8ae90>

3D Structure for #<Metabolite:0x00007fdb58a8ae90>