MiMeDB: Showing metabocard for L-Asparagine (MMDBc0000054)

Not Available

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-10-27 23:28:42 UTC

Update Date

2024-10-07 00:15:52 UTC

Metabolite ID

MMDBc0000054

Metabolite Identification

Common Name

L-Asparagine

Description

Asparagine (Asn) is one of the 20 most common natural amino acids on Earth. It has carboxamide as the side chain's functional group. Asparagine is not an essential amino acid, which means that it can be synthesized from central metabolic pathway intermediates in humans and is not required in the diet. The precursor to asparagine is oxaloacetate. Oxaloacetate is converted to aspartate using a transaminase enzyme. The enzyme transfers the amino group from glutamate to oxaloacetate producing alpha-ketoglutarate and aspartate. The enzyme asparagine synthetase produces asparagine, AMP, glutamate, and pyrophosphate from aspartate, glutamine, and ATP. In the asparagine synthetase reaction, ATP is used to activate aspartate, forming beta-aspartyl-AMP. Glutamine donates an ammonium group which reacts with beta-aspartyl-AMP to form asparagine and free AMP. Since the asparagine side chain can make efficient hydrogen bond interactions with the peptide backbone, asparagines are often found near the beginning and end of alpha-helices, and in turn motifs in beta sheets. Its role can be thought as "capping" the hydrogen bond interactions which would otherwise need to be satisfied by the polypeptide backbone. Glutamines have an extra methylene group and have more conformational entropy, and thus are less useful in this regard. Asparagine also provides key sites for N-linked glycosylation, modification of the protein chain with the addition of carbohydrate chains. A reaction between asparagine and reducing sugars or reactive carbonyls produces acrylamide (acrylic amide) in food when heated to sufficient temperature (i.e. baking). These occur primarily in baked goods such as french fries, potato chips, and roasted coffee. Asparagine was first isolated in 1806 from asparagus juice, in which it is abundant--hence its name--becoming the first amino acid to be isolated. The smell observed in the urine of some individuals after their consumption of asparagus is attributed to a byproduct of the metabolic breakdown of asparagine, asparagine-amino-succinic-acid monoamide. However, some scientists disagree and implicate other substances in the smell, especially methanethiol (Wikipedia ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

Synonyms

Value	Source
(2S)-2,4-Diamino-4-oxobutanoic acid	ChEBI
(2S)-2-Amino-3-carbamoylpropanoic acid	ChEBI
(S)-2-Amino-3-carbamoylpropanoic acid	ChEBI
(S)-Asparagine	ChEBI
2-Aminosuccinamic acid	ChEBI
alpha-Aminosuccinamic acid	ChEBI
Asn	ChEBI
ASPARAGINE	ChEBI
Aspartamic acid	ChEBI
L-2-Aminosuccinamic acid	ChEBI
L-Asparagin	ChEBI
L-Aspartic acid beta-amide	ChEBI
N	ChEBI
(2S)-2,4-Diamino-4-oxobutanoate	Generator
(2S)-2-Amino-3-carbamoylpropanoate	Generator
(S)-2-Amino-3-carbamoylpropanoate	Generator
2-Aminosuccinamate	Generator
a-Aminosuccinamate	Generator
a-Aminosuccinamic acid	Generator
alpha-Aminosuccinamate	Generator
Α-aminosuccinamate	Generator
Α-aminosuccinamic acid	Generator
Aspartamate	Generator
L-2-Aminosuccinamate	Generator
L-Aspartate b-amide	Generator
L-Aspartate beta-amide	Generator
L-Aspartate β-amide	Generator
L-Aspartic acid b-amide	Generator
L-Aspartic acid β-amide	Generator
(-)-Asparagine	HMDB
(S)-2,4-Diamino-4-oxobutanoate	HMDB
(S)-2,4-Diamino-4-oxobutanoic acid	HMDB
Agedoite	HMDB
alpha Amminosuccinamate	HMDB
alpha Amminosuccinamic acid	HMDB
Altheine	HMDB
Asparagine acid	HMDB
Asparamide	HMDB
Aspartic acid amide	HMDB
Aspartic acid b-amide	HMDB
Aspartic acid beta amide	HMDB
b2,4-(S)-Diamino-4-oxo-utanoate	HMDB
b2,4-(S)-Diamino-4-oxo-utanoic acid	HMDB
Crystal VI	HMDB
L-2,4-Diamino-4-oxobutanoate	HMDB
L-2,4-Diamino-4-oxobutanoic acid	HMDB
L-Aspartamine	HMDB
L-b-Asparagine	HMDB
L-beta-Asparagine	HMDB

Molecular Formula

C₄H₈N₂O₃

Average Mass

132.1179

Monoisotopic Mass

132.053492132

IUPAC Name

(2S)-2-amino-3-carbamoylpropanoic acid

Traditional Name

L-asparagine

CAS Registry Number

70-47-3

SMILES

N[C@@H](CC(N)=O)C(O)=O

InChI Identifier

InChI=1S/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1

InChI Key

DCXYFEDJOCDNAF-REOHCLBHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as asparagine and derivatives. Asparagine and derivatives are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine 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

Asparagine and derivatives

Alternative Parents

Substituents

Asparagine or derivatives
Alpha-amino acid
L-alpha-amino acid
Fatty amide
Fatty acyl
Fatty acid
Carboxamide group
Amino acid
Primary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Primary aliphatic amine
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

aspartate family amino acid (CHEBI:17196 )
proteinogenic amino acid (CHEBI:17196 )
L-alpha-amino acid (CHEBI:17196 )
asparagine (CHEBI:17196 )
Common amino acids (C00152 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	168 g/L	ALOGPS
logP	-3.4	ALOGPS
logP	-4.3	ChemAxon
logS	0.1	ALOGPS
pKa (Strongest Acidic)	2	ChemAxon
pKa (Strongest Basic)	8.43	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	106.41 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	28.35 m³·mol⁻¹	ChemAxon
Polarizability	11.68 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)	splash10-0159-0910000000-bedf57998656ab5ebc16	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)	splash10-0159-0910000000-4979c4d028d2dc931263	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)	splash10-0159-0910000000-b7ea3fef61f3940cbdda	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)	splash10-00di-9710000000-6d0afcbcc003347e598e	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (2 TMS)	splash10-0uxr-0910000000-2be567239bd3229b1ca1	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-02t9-0790000000-b8141f48cbebb90f683e	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-02t9-1790000000-1d12ed9b4fb2799da766	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (4 TMS)	splash10-014u-0961000000-65a5c0999f17110c9939	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (4 TMS)	splash10-00kr-0940000000-0e0e5c7bdbac5ea0e49e	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (3 TMS)	splash10-00lr-1920000000-7864dbb1f685e64dd1cf	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (4 TMS)	splash10-000i-1940000000-964ea25da2789805985a	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-00lr-0930000000-79a089d9875e092dd7f2	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0159-0910000000-bedf57998656ab5ebc16	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0159-0910000000-4979c4d028d2dc931263	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0159-0910000000-b7ea3fef61f3940cbdda	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-QQ (Non-derivatized)	splash10-00di-4931100000-17f149310ce3a0f748d1	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9710000000-6d0afcbcc003347e598e	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0uxr-0910000000-2be567239bd3229b1ca1	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-02t9-0790000000-b8141f48cbebb90f683e	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-02t9-1790000000-1d12ed9b4fb2799da766	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-014u-0961000000-65a5c0999f17110c9939	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00kr-0940000000-0e0e5c7bdbac5ea0e49e	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-00lr-1920000000-7864dbb1f685e64dd1cf	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-000i-1940000000-964ea25da2789805985a	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-000f-9100000000-5881591331bd059b7e7d	2016-09-22	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0080-9400000000-e5c7e19f427eea6d71b0	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-00di-9000000000-afc1214100db1168b095	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-00dl-9000000000-57e977cd87e9a86d482b	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-001i-0900000000-6fb96f5aa291359dba29	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000i-9000000000-76f11e6fe5657c35d15f	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000i-9000000000-e944486273dbfde4cae4	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-001i-0900000000-27ad91a86be0c4d86c3c	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-001i-0900000000-b8b7a3431b66246ad613	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000i-9000000000-03fa294ec740e189dd99	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000i-9000000000-cee2081406fc25ab6169	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-001i-0900000000-cd79afa0c27f65e54adc	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-01q9-0943200000-5a24322ba0ce2f410155	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-03di-0900000000-fc3086cc1bb0c06a4c11	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-03di-3900000000-2d74d8232e7523f3b1c9	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-001i-0900000000-fa61c6fa9a87ce4905bb	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-01q9-0942200000-757da8b3406485c997b0	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-014i-9000000000-eac18512f2d22ab7a7ef	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-03di-0900000000-8df6d5b6cf94bf081c89	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-001i-0900000000-18079004a95c252da208	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-001i-0900000000-e6b1f9b4982e6cdc863d	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-03di-5900000000-7b9c09b3b6de28972f97	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-00dl-9100000000-2ea95ead344d62e230a4	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-0006-9000000000-defacc365589bc4437d7	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-0006-9000000000-fd60db4d5e35794c45ae	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive	splash10-001i-3900000000-fd0f1034b5c1e40435c0	2012-08-31	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)		2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)		2016-10-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)		2021-10-10	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, experimental)		2021-10-10	View Spectrum
2D NMR	[¹H, ¹H]-TOCSY. Unexported temporarily by An Chi on Oct 15, 2021 until json or nmrML file is generated. 2D NMR Spectrum (experimental)		2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)		2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Mitochondria

Biospecimen Locations

All Tissues
Blood
Breast Milk
Cerebrospinal Fluid (CSF)
Feces
Placenta
Prostate
Saliva
Urine

Tissue Locations

All Tissues
Placenta
Prostate

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0192227	Asparagine synthetase [glutamine-hydrolyzing]	Enzyme	P08243	Homo sapiens
MMDBp0192253	Asparagine--tRNA ligase, cytoplasmic	Enzyme	O43776	Homo sapiens
MMDBp0193142	Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1	Enzyme	P04843	Homo sapiens
MMDBp0193144	Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDa subunit	Enzyme	P39656	Homo sapiens
MMDBp0193145	Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 2	Enzyme	P04844	Homo sapiens
MMDBp0193348	Neutral amino acid transporter B(0)	Transporter	Q15758	Homo sapiens
MMDBp0193672	Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A	Enzyme	P46977	Homo sapiens
MMDBp0193772	Sodium-coupled neutral amino acid transporter 3	Transporter	Q99624	Homo sapiens
MMDBp0193891	Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit DAD1	Enzyme	P61803	Homo sapiens
MMDBp0193912	Isoaspartyl peptidase/L-asparaginase	Enzyme	Q7L266	Homo sapiens
MMDBp0194057	Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3B	Enzyme	Q8TCJ2	Homo sapiens
MMDBp0194096	60 kDa lysophospholipase	Enzyme	Q86U10	Homo sapiens
MMDBp0195943	Probable asparagine--tRNA ligase, mitochondrial	Enzyme	Q96I59	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank
Protein Synthesis: Asparagine

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Data Source	Reference
MMDBr0000341	L-Asparagine	L-Aspartic acid	asparaginase like 1	VMH; KEGG	11984834
MMDBr0000342	L-Aspartic acid	L-Asparagine	Not Available	VMH; KEGG	2564390 2886907
MMDBr0002943	L-Alanine	Primed Glycogenin (Glycogenin-8[1,4-Glc])	glycogenin 1	VMH	10395894 10721716 15489334 8602861 8661012
MMDBr0002944	Primed Glycogenin (Glycogenin-8[1,4-Glc])	L-Alanine	Not Available	VMH	10395894 10721716 15489334 8602861 8661012
MMDBr0004151	L-Asparagine	N-Acetylasparagine	N-acetylglutamate synthase	VMH	12459178 12594532
MMDBr0004331	N-Acetylasparagine	Acetic acid	aspartoacylase (aminocyclase) 3	VMH	10837925 8252036
MMDBr0006423	Alanyl-Asparaginyl-Leucine	L-Alanine	Not Available	VMH	30371894
MMDBr0006448	Asparaginyl-Asparaginyl-Arginine	L-Arginine	Not Available	VMH	30371894
MMDBr0006449	Asparaginyl-Cysteinyl-Cysteine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006450	Asparaginyl-Methionyl-Proline	L-Asparagine	Not Available	VMH	30371894
MMDBr0006451	Asparaginyl-Phenylalanyl-Aspartate	L-Asparagine	Not Available	VMH	30371894
MMDBr0006452	Asparaginyl-Phenylalanyl-Cysteine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006453	Asparaginyl-Tyrosyl-Glycine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006454	Asparaginyl-Tyrosyl-Phenylalanine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006455	Asparaginyl-Tyrosyl-Threonine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006457	Aspartyl-Asparaginyl-Glutamate	L-Asparagine	Not Available	VMH	30371894
MMDBr0006467	Aspartyl-Valyl-Asparagine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006468	Cystyl-Asparaginyl-Methionine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006476	Cystyl-Tyrosyl-Asparagine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006477	Glutaminyl-Asparaginyl-Glutamine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006486	Glutaminyl-Asparaginyl-Leucine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006495	Glycyl-Histidyl-Asparagine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006521	Isoleucyl-Asparaginyl-Histidine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006529	Leucyl-Asparaginyl-Aspartate	L-Asparagine	Not Available	VMH	30371894
MMDBr0006550	Methionyl-Asparaginyl-Tyrosine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006557	Phenylalanyl-Asparaginyl-Methionine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006566	Phenylalanyl-Phenylalaninyl-Asparagine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006577	Prolyl-Asparaginyl-Cysteine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006599	Threonyl-Asparaginyl-Tyrosine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006653	Valyl-Histidyl-Asparagine	L-Asparagine	Not Available	VMH	30371894
MMDBr0006906	L-Aspartic acid	L-Asparagine	Not Available	VMH	30371894
MMDBr0007434	Glycyl-L-asparagine	L-Asparagine	Not Available	VMH	30371894
MMDBr0007605	L-Asparagine	L-Aspartic acid	Not Available	VMH	30371894
MMDBr0010936	L-Aspartic acid	L-Asparagine	Not Available	VMH	30371894
MMDBr0012704	L-Aspartic acid	L-Asparagine	Not Available	VMH	30371894

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Alzheimer's disease		Association	Human Saliva	HMDB	23857558
Alzheimer's disease	Decreased	Association	Human Cerebrospinal Fluid (CSF)	HMDB	17031479
Epilepsy		Association	Human Blood	HMDB	14992292
Frontotemporal dementia		Association	Human Saliva	HMDB	23857558
Fumarase deficiency		Association	Human Blood	HMDB	20549362
Fumarase deficiency	Slight Increase	Association	Human Urine	HMDB	20549362
Leukemia	Slight Decrease	Association	Human Cerebrospinal Fluid (CSF)	HMDB	15911239
Schizophrenia		Association	Human Cerebrospinal Fluid (CSF)	HMDB	7595563
Uremia		Association	Human Blood	HMDB	11865086
Eosinophilic esophagitis	Slight Decrease	Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Eosinophilic esophagitis	Slight Increase	Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Deinococcus-thermus	4		Microbial culture
Eukaryota	Euglenozoa	1		Microbial culture
Bacteria	Fibrobacteres	1		Microbial culture
Bacteria	Firmicutes	824	Human feces; Human ; Human stool; Human urine; Human sputum; Human pleural fluid plaque; Pig ; Human subgingival plaque; Human saliva; Human mucosa; Human supragingival plaque; Cattle ; Human vaginal fluid	Microbial culture; Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Bacteroidetes	235	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human supragingival plaque; Human subgingival plaque	Microbial culture; Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Proteobacteria	447	Human feces; Human stool; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal; Cattle ; River trout ; Chicken ; Human supragingival plaque; Human subgingival plaque	Indirect association between microbiota composition and metabolites measured in host biospecimen; Metabolic reconstruction
Bacteria	Actinobacteria	255	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria	Synergistetes	7	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	4	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	2		Metabolic reconstruction
Bacteria	Fusobacteria	42	Human feces; Human ; Human mucosa; Human supragingival plaque; Human urine; Human saliva; Human subgingival plaque	Metabolic reconstruction
Archaea	Euryarchaeota	10		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	2	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	13	Human feces; Human	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	2		Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	5		Metabolic reconstruction
Viruses/Bamfordvirae	Nucleocytoviricota	1
Eukaryota/Fungi	Ascomycota	5	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Animal		Spirulina	FooDB	Manually Annotated
Animal		Lota lota	FooDB	Manually Annotated
Animal		Porphyra umbilicalis	FooDB	Manually Annotated
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	Manually Annotated
Animal	Milk	Bos taurus	FooDB	30994344
Animal	Milk	Bos taurus	FooDB	30994344
Animal		Chondrus crispus	FooDB	Manually Annotated
Animal		Laminaria	FooDB	Manually Annotated
Animal	Milk	Bos taurus	FooDB	Manually Annotated
Animal		Strombidae	FooDB	Manually Annotated
Animal		Haliotis	FooDB	Manually Annotated
Animal		Clupea harengus harengus	FooDB	Manually Annotated
Animal		Undaria pinnatifida	FooDB	Manually Annotated
Animal		Peprilus triacanthus	FooDB	Manually Annotated
Animal		Rhodophyta	FooDB	Manually Annotated
Animal		Myoxocephalus	FooDB	Manually Annotated
Animal		Eucheuma	FooDB	Manually Annotated
Animal		Saccharina japonica	FooDB	Manually Annotated
Food			FooDB	27664616
Food			FooDB	Manually Annotated
Food			FooDB	21371950
Food			FooDB	21371950
Food			FooDB	21371950
Food			FooDB	21371950
Plant		Raphanus sativus var. sativus	FooDB	Manually Annotated
Plant		Vaccinium myrtillus	FooDB	Manually Annotated
Plant		Prunus persica var. persica	FooDB	Manually Annotated
Plant		Flammulina velutipes	FooDB	Manually Annotated
Plant		Syzygium aromaticum	FooDB	Manually Annotated
Plant		Pouteria sapota	FooDB	Manually Annotated
Plant		Prunus avium	FooDB	Manually Annotated
Plant		Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant		Raphanus sativus var. niger	FooDB	Manually Annotated
Plant		Photinia melanocarpa	FooDB	Manually Annotated
Plant		Rubus ursinus x idaeus	FooDB	Manually Annotated
Plant		Piper nigrum	FooDB	Manually Annotated
Plant		Cirsium	FooDB	Manually Annotated
Plant		Dioscorea	FooDB	Manually Annotated
Plant		Dysphania ambrosioides	FooDB	Manually Annotated
Plant		Opuntia	FooDB	Manually Annotated
Plant		Origanum vulgare	FooDB	Manually Annotated
Plant		Salix pulchra	FooDB	Manually Annotated
Plant		Castanea	FooDB	Manually Annotated
Plant		Nuphar lutea	FooDB	Manually Annotated
Plant		Vaccinium ovatum	FooDB	Manually Annotated
Plant		Syzygium jambos	FooDB	Manually Annotated
Plant		Thymus pulegioides	FooDB	Manually Annotated
Plant		Vitis vinifera	FooDB	Manually Annotated
Plant		Pleurotus ostreatus	FooDB	Manually Annotated
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant		Mespilus germanica	FooDB	Manually Annotated
Plant		Colocasia esculenta	FooDB	Manually Annotated
Plant	Root	Armoracia rusticana	FooDB	DUKE
Plant		Citrus maxima	FooDB	Manually Annotated
Plant		Anthriscus cerefolium	FooDB	Manually Annotated
Plant		Brassica rapa var. perviridis	FooDB	Manually Annotated
Plant		Pachyrhizus erosus	FooDB	Manually Annotated
Plant		Salvia elegans	FooDB	Manually Annotated
Plant		Mentha	FooDB	Manually Annotated
Plant		Cichorium endivia	FooDB	Manually Annotated
Plant		Mentha aquatica	FooDB	Manually Annotated
Plant		Myristica fragrans	FooDB	Manually Annotated
Plant		Elaeis	FooDB	Manually Annotated
Plant		Cinnamomum	FooDB	Manually Annotated
Plant		Feijoa sellowiana	FooDB	Manually Annotated
Plant		Ribes uva-crispa	FooDB	Manually Annotated
Plant		Phaseolus coccineus	FooDB	Manually Annotated
Plant		Cydonia oblonga	FooDB	Manually Annotated
Plant		Fagus	FooDB	Manually Annotated
Plant		Crocus sativus	FooDB	Manually Annotated
Plant		Vaccinium	FooDB	Manually Annotated
Plant	Fruit	Ananas comosus	FooDB	DUKE
Plant		Rheum rhabarbarum	FooDB	Manually Annotated
Plant		Castanea sativa	FooDB	Manually Annotated
Plant		Lablab purpureus	FooDB	Manually Annotated
Plant		Empetrum nigrum	FooDB	Manually Annotated
Plant		Myrica rubra	FooDB	Manually Annotated
Plant		Sagittaria latifolia	FooDB	Manually Annotated
Plant		Tilia tomentosa	FooDB	Manually Annotated
Plant		Opuntia cochenillifera	FooDB	Manually Annotated
Plant		Annona muricata	FooDB	Manually Annotated
Plant		Vaccinium angustifolium x vaccinium corymbosum	FooDB	Manually Annotated
Plant		Beta vulgaris ssp. cicla	FooDB	Manually Annotated
Plant		Syzygium cumini	FooDB	Manually Annotated
Plant		Cucurbita	FooDB	Manually Annotated
Plant		Typha angustifolia	FooDB	Manually Annotated
Plant	Bulb	Allium sativum l. var. sativum	FooDB	DUKE
Plant		Tamarindus indica	FooDB	Manually Annotated
Plant		Cocos nucifera	FooDB	Manually Annotated
Plant		Angelica keiskei	FooDB	Manually Annotated
Plant		Valerianella locusta	FooDB	Manually Annotated
Plant	Seed	Vigna mungo	FooDB	DUKE
Plant		Hyssopus officinalis	FooDB	Manually Annotated
Plant		Sambucus	FooDB	Manually Annotated
Plant		Rubus idaeus	FooDB	Manually Annotated
Plant		Sisymbrium	FooDB	Manually Annotated
Plant		Vanilla	FooDB	Manually Annotated
Plant		Pinus	FooDB	Manually Annotated
Plant		Borago officinalis	FooDB	Manually Annotated
Plant		Olea europaea	FooDB	Manually Annotated
Plant	Plant	Camellia sinensis	FooDB	DUKE
Plant	Fruit	Prunus cerasus	FooDB	DUKE
Plant		Vaccinium vitis-idaea	FooDB	Manually Annotated
Plant		Psidium guajava	FooDB	Manually Annotated
Plant		Rubus spectabilis	FooDB	Manually Annotated
Plant		Carya	FooDB	Manually Annotated
Plant		Scorzonera hispanica	FooDB	Manually Annotated
Plant	Fruit	Phaseolus vulgaris	FooDB	DUKE
Plant		Physalis philadelphica var. immaculata	FooDB	Manually Annotated
Plant		Vigna unguiculata ssp. sesquipedalis	FooDB	Manually Annotated
Plant	Fruit	Citrus reticulata	FooDB	DUKE
Plant		Ipomoea aquatica	FooDB	Manually Annotated
Plant		Manihot esculenta	FooDB	Manually Annotated
Plant		Cuminum cyminum	FooDB	Manually Annotated
Plant		Raphanus sativus	FooDB	Manually Annotated
Plant		Cantharellus cibarius	FooDB	Manually Annotated
Plant		Daucus carota	FooDB	Manually Annotated
Plant		Solanum tuberosum	FooDB	Manually Annotated
Plant		Opuntia macrorhiza	FooDB	Manually Annotated
Plant		Prunus dulcis	FooDB	Manually Annotated
Plant		Brassica oleracea l. var. capitata l. f. alba dc.	FooDB	Manually Annotated
Plant		Allium sativum	FooDB	Manually Annotated
Plant		Morus nigra	FooDB	Manually Annotated
Plant		Allium cepa	FooDB	Manually Annotated
Plant		Sinapis alba	FooDB	Manually Annotated
Plant		Brassica ruvo	FooDB	Manually Annotated
Plant		Illicium verum	FooDB	Manually Annotated
Plant		Pinus edulis	FooDB	Manually Annotated
Plant		Fragaria x ananassa	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Musa x paradisiaca	FooDB	Manually Annotated
Plant		Passiflora edulis	FooDB	Manually Annotated
Plant		Apium graveolens var. secalinum	FooDB	Manually Annotated
Plant		Juglans ailanthifolia	FooDB	Manually Annotated
Plant		Arachis hypogaea	FooDB	Manually Annotated
Plant		Pyrus communis	FooDB	Manually Annotated
Plant		Manilkara zapota	FooDB	Manually Annotated
Plant		Auricularia auricula-judae	FooDB	Manually Annotated
Plant		Polygonum alpinum	FooDB	Manually Annotated
Plant		Abelmoschus esculentus	FooDB	Manually Annotated
Plant		Chamaemelum nobile	FooDB	Manually Annotated
Plant		Moringa oleifera	FooDB	Manually Annotated
Plant		Melissa officinalis	FooDB	Manually Annotated
Plant		Hippophae rhamnoides	FooDB	Manually Annotated
Plant	Leaves	Artemisia dracunculus	FooDB	DUKE
Plant		Vigna angularis	FooDB	Manually Annotated
Plant		Sambucus nigra	FooDB	Manually Annotated
Plant		Malus	FooDB	Manually Annotated
Plant		Solanum lycopersicum	FooDB	Manually Annotated
Plant		Corylus	FooDB	Manually Annotated
Plant		Juglans	FooDB	Manually Annotated
Plant		Cucurbita pepo var. clypeata	FooDB	Manually Annotated
Plant	Fruit	Solanum lycopersicum var. lycopersicum	FooDB	DUKE
Plant		Auricularia polytricha	FooDB	Manually Annotated
Plant		Rubus arcticus	FooDB	Manually Annotated
Plant		Beta vulgaris var. rubra	FooDB	Manually Annotated
Plant		Laurus nobilis	FooDB	Manually Annotated
Plant		Mentha spicata	FooDB	Manually Annotated
Plant		Mangifera indica	FooDB	Manually Annotated
Plant		Pediomelum esculentum	FooDB	Manually Annotated
Plant		Attalea speciosa	FooDB	Manually Annotated
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant	Leaves	Lactuca sativa	FooDB	15986496
Plant		Cucumis sativus	FooDB	Manually Annotated
Plant		Helianthus annuus	FooDB	Manually Annotated
Plant		Rumex articus	FooDB	Manually Annotated
Plant		Ribes aureum var. villosum	FooDB	Manually Annotated
Plant		Chrysanthemum coronarium	FooDB	Manually Annotated
Plant		Eleocharis dulcis	FooDB	Manually Annotated
Plant		Brassica juncea	FooDB	Manually Annotated
Plant		Petroselinum crispum	FooDB	Manually Annotated
Plant		Vaccinium corymbosum	FooDB	Manually Annotated
Plant		Lactuca sativa l. var. longifolia	FooDB	Manually Annotated
Plant		Camellia oleifera	FooDB	Manually Annotated
Plant		Eruca vesicaria ssp. sativa	FooDB	Manually Annotated
Plant		Pimenta dioica	FooDB	Manually Annotated
Plant		Metroxylon sagu	FooDB	Manually Annotated
Plant		Thymus vulgaris	FooDB	Manually Annotated
Plant		Pisum sativum	FooDB	Manually Annotated
Plant	Fruit juice	Ribes nigrum	FooDB	DUKE
Plant		Actinidia chinensis	FooDB	Manually Annotated
Plant		Canarium ovatum	FooDB	Manually Annotated
Plant		Hibiscus sabdariffa	FooDB	Manually Annotated
Plant		Vitis rotundifolia	FooDB	Manually Annotated
Plant		Medicago sativa	FooDB	Manually Annotated
Plant		Origanum majorana	FooDB	Manually Annotated
Plant		Morus	FooDB	Manually Annotated
Plant		Spinacia oleracea	FooDB	Manually Annotated
Plant		Agaricus bisporus	FooDB	Manually Annotated
Plant		Benincasa hispida	FooDB	Manually Annotated
Plant		Vitis labrusca	FooDB	Manually Annotated
Plant		Carica papaya	FooDB	Manually Annotated
Plant		Cajanus cajan	FooDB	Manually Annotated
Plant		Myrica	FooDB	Manually Annotated
Plant		Cyathea	FooDB	Manually Annotated
Plant		Juglans cinerea	FooDB	Manually Annotated
Plant		Cucurbita pepo var. cylindrica	FooDB	Manually Annotated
Plant		Vigna unguiculata	FooDB	Manually Annotated
Plant		Cynara scolymus	FooDB	Manually Annotated
Plant		Psidium cattleianum	FooDB	Manually Annotated
Plant		Brassica oleracea var. gongylodes	FooDB	Manually Annotated
Plant		Arctium lappa	FooDB	Manually Annotated
Plant		Vaccinium angustifolium	FooDB	Manually Annotated
Plant		Prunus persica	FooDB	Manually Annotated
Plant		Foeniculum vulgare	FooDB	Manually Annotated
Plant		Artocarpus altilis	FooDB	Manually Annotated
Plant		Artemisia vulgaris	FooDB	Manually Annotated
Plant		Castanea mollissima	FooDB	Manually Annotated
Plant		Cucumis metuliferus	FooDB	Manually Annotated
Plant		Vaccinium macrocarpon	FooDB	Manually Annotated
Plant		Nephelium lappaceum	FooDB	Manually Annotated
Plant		Brassica oleracea var. gemmifera	FooDB	Manually Annotated
Plant		Brosimum alicastrum	FooDB	Manually Annotated
Plant	Root	Apium graveolens	FooDB	DUKE
Plant	Fruit	Capsicum annuum var. annuum	FooDB	DUKE
Plant		Phytolacca americana	FooDB	Manually Annotated
Plant		Tetragonia tetragonioides	FooDB	Manually Annotated
Plant		Lentinus edodes	FooDB	Manually Annotated
Plant		Citrus x paradisi	FooDB	Manually Annotated
Plant		Phaseolus vulgaris	FooDB	Manually Annotated
Plant		Thelesperma	FooDB	Manually Annotated
Plant		Rosmarinus officinalis	FooDB	Manually Annotated
Plant		Vaccinium elliottii	FooDB	Manually Annotated
Plant	Plant	Annona squamosa	FooDB	DUKE
Plant		Lepidium sativum	FooDB	Manually Annotated
Plant		Levisticum officinale	FooDB	Manually Annotated
Plant		Corylus avellana	FooDB	Manually Annotated
Plant		Castanea crenata	FooDB	Manually Annotated
Plant		Helianthus tuberosus	FooDB	Manually Annotated
Plant		Grifola frondosa	FooDB	Manually Annotated
Plant		Chamerion angustifolium	FooDB	Manually Annotated
Plant		Quercus	FooDB	Manually Annotated
Plant		Malpighia emarginata	FooDB	Manually Annotated
Plant		Ziziphus zizyphus	FooDB	Manually Annotated
Plant		Ficus carica	FooDB	Manually Annotated
Plant		Physalis	FooDB	Manually Annotated
Plant		Pangium edule	FooDB	Manually Annotated
Plant		Matricaria recutita	FooDB	Manually Annotated
Plant		Litchi chinensis	FooDB	Manually Annotated
Plant		Hedysarum alpinum	FooDB	Manually Annotated
Plant		Dimocarpus longan	FooDB	Manually Annotated
Plant		Cynara cardunculus	FooDB	Manually Annotated
Plant		Apium graveolens var. dulce	FooDB	Manually Annotated
Plant		Trigonella foenum-graecum	FooDB	Manually Annotated
Plant		Juglans regia	FooDB	Manually Annotated
Plant	Bulb	Allium cepa	FooDB	DUKE
Plant		Capsicum baccatum var. baccatum	FooDB	Manually Annotated
Plant		Brassica oleracea var. sabauda	FooDB	Manually Annotated
Plant		Brassica napus	FooDB	Manually Annotated
Plant		Salvia hispanica	FooDB	Manually Annotated
Plant		Capsicum pubescens	FooDB	Manually Annotated
Plant		Pimpinella anisum	FooDB	Manually Annotated
Plant		Agave	FooDB	Manually Annotated
Plant		Vigna aconitifolia	FooDB	Manually Annotated
Plant		Vitis aestivalis	FooDB	Manually Annotated
Plant		Xanthosoma sagittifolium	FooDB	Manually Annotated
Plant		Eugenia javanica	FooDB	Manually Annotated
Plant	Plant	Allium ampeloprasum	FooDB	DUKE
Plant		Citrus aurantiifolia	FooDB	Manually Annotated
Plant		Pastinaca sativa	FooDB	Manually Annotated
Plant		Vaccinium stamineum	FooDB	Manually Annotated
Plant		Crateva religiosa	FooDB	Manually Annotated
Plant		Brassica oleracea var. viridis	FooDB	Manually Annotated
Plant		Brassica alboglabra	FooDB	Manually Annotated
Plant		Mentha arvensis	FooDB	Manually Annotated
Plant		Vitellaria paradoxa	FooDB	Manually Annotated
Plant		Allium	FooDB	Manually Annotated
Plant		Mammea americana	FooDB	Manually Annotated
Plant		Lactuca sativa	FooDB	Manually Annotated
Plant		Byrsonima crassifolia	FooDB	Manually Annotated
Plant		Basella alba	FooDB	Manually Annotated
Plant		Eragrostis tef	FooDB	Manually Annotated
Plant		Diospyros	FooDB	Manually Annotated
Plant		Amaranthus	FooDB	Manually Annotated
Plant		Grataegosorbus mitschurinii	FooDB	Manually Annotated
Plant		Solanum lycopersicum var. cerasiforme	FooDB	Manually Annotated
Plant		Pistacia vera	FooDB	Manually Annotated
Plant		Punica granatum	FooDB	Manually Annotated
Plant	Leaves	Vicia faba	FooDB	DUKE
Plant		Beta vulgaris	FooDB	Manually Annotated
Plant	Fruit	Tilia	FooDB	DUKE
Plant		Gossypium	FooDB	Manually Annotated
Plant		Origanum x majoricum	FooDB	Manually Annotated
Plant		Vitis	FooDB	Manually Annotated
Plant		Citrus latifolia	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Carya illinoinensis	FooDB	Manually Annotated
Plant	Fruit	Ginkgo biloba	FooDB	DUKE
Plant		Diospyros virginiana	FooDB	Manually Annotated
Plant		Ribes x nidigrolaria	FooDB	Manually Annotated
Plant		Psophocarpus tetragonolobus	FooDB	Manually Annotated
Plant		Rubus chamaemorus	FooDB	Manually Annotated
Plant	Shoot	Asparagus officinalis	FooDB	DUKE
Plant		Brassica rapa var. chinensis	FooDB	Manually Annotated
Plant		Eugenia uniflora	FooDB	Manually Annotated
Plant		Portulaca oleracea	FooDB	Manually Annotated
Plant		Citrullus lanatus var. fistulosus	FooDB	Manually Annotated
Plant		Allium tuberosum	FooDB	Manually Annotated
Plant		Rumex	FooDB	Manually Annotated
Plant		Cinnamomum aromaticum	FooDB	Manually Annotated
Plant		Ribes rubrum	FooDB	Manually Annotated
Plant		Ipomoea batatas	FooDB	Manually Annotated
Plant	Fruit	Malus pumila	FooDB	TN Prabha, PV Salimath, MV Patwardhan. Primary metabolites and organic acid metabolism in apple (Malus sylvestris) fruit callus culture. J. Sci. Food Agric. 1990, 51(3). DOI: 10.1002/jsfa.2740510310
Plant		Allium ampeloprasum	FooDB	Manually Annotated
Plant		Chenopodium album	FooDB	Manually Annotated
Plant		Lathyrus sativus	FooDB	Manually Annotated
Plant		Tragopogon porrifolius	FooDB	Manually Annotated
Plant	Rhizome	Nelumbo nucifera	FooDB	DUKE
Plant		Rubus x loganobaccus	FooDB	Manually Annotated
Plant		Cucurbita maxima	FooDB	Manually Annotated
Plant		Sechium edule	FooDB	Manually Annotated
Plant		Brassica oleracea	FooDB	Manually Annotated
Plant		Gaylussacia baccata	FooDB	Manually Annotated
Plant		Garcinia mangostana	FooDB	Manually Annotated
Plant		Sesbania bispinosa	FooDB	Manually Annotated
Plant	Rhizome	Zingiber officinale	FooDB	DUKE
Plant		Amelanchier alnifolia	FooDB	Manually Annotated
Plant		Curcuma longa	FooDB	Manually Annotated
Plant		Annona reticulata	FooDB	Manually Annotated
Plant		Elettaria cardamomum	FooDB	Manually Annotated
Plant		Allium ascalonicum	FooDB	Manually Annotated
Plant		Taraxacum officinale	FooDB	Manually Annotated
Plant		Capsicum annuum	FooDB	Manually Annotated
Plant		Petasites japonicus	FooDB	Manually Annotated
Plant		Vaccinium myrtilloides	FooDB	Manually Annotated
Plant		Dioscorea pentaphylla	FooDB	Manually Annotated
Plant		Matteuccia struthiopteris	FooDB	Manually Annotated
Plant		Brassica oleracea var. conica	FooDB	Manually Annotated
Plant		Prunus tomentosa	FooDB	Manually Annotated
Plant		Persea americana	FooDB	Manually Annotated
Plant		Cinnamomum verum	FooDB	Manually Annotated
Plant		Corchorus olitorius	FooDB	Manually Annotated
Plant		Lippia graveolens	FooDB	Manually Annotated
Plant		Brassica oleracea var. botrytis	FooDB	Manually Annotated
Plant		Chenopodium quinoa	FooDB	Manually Annotated
Plant		Cichorium intybus	FooDB	Manually Annotated
Plant	Fruit	Malus pumila	FooDB	DUKE
Plant		Maranta arundinacea	FooDB	Manually Annotated
Plant		Cucumis melo	FooDB	Manually Annotated
Plant	Seed	Vigna radiata	FooDB	DUKE
Plant		Juglans nigra	FooDB	Manually Annotated
Plant		Vaccinium deliciosum	FooDB	Manually Annotated
Plant	Plant		FooDB	DUKE
Plant		Mentha x piperita	FooDB	Manually Annotated
Plant		Nelumbo	FooDB	Manually Annotated
Plant		Cucurbita moschata	FooDB	Manually Annotated
Plant		Rosa	FooDB	Manually Annotated
Plant	Plant		FooDB	DUKE
Plant		Macadamia	FooDB	Manually Annotated
Plant		Solanum melongena	FooDB	Manually Annotated
Plant		Apium graveolens var. rapaceum	FooDB	Manually Annotated
Plant		Papaver	FooDB	Manually Annotated
Plant		Macadamia tetraphylla	FooDB	Manually Annotated
Plant		Ocimum basilicum	FooDB	Manually Annotated
Plant	Fruit	Coffea arabica	FooDB	DUKE
Plant		Capparis spinosa	FooDB	Manually Annotated
Plant		Brassica rapa var. pekinensis	FooDB	Manually Annotated
Plant		Citrus limon	FooDB	Manually Annotated
Plant		Prunus virginiana	FooDB	Manually Annotated
Plant		Annona cherimola	FooDB	Manually Annotated
Plant		Brassica rapa	FooDB	Manually Annotated
Plant		Sorbus aucuparia	FooDB	Manually Annotated
Plant		Prunus	FooDB	Manually Annotated
Plant	Fruit	Capsicum annuum	FooDB	DUKE
Plant		Carissa macrocarpa	FooDB	Manually Annotated
Plant		Brassica oleracea var. costata	FooDB	Manually Annotated
Plant		Panax	FooDB	Manually Annotated
Plant	Sprout seedling	Lens culinaris	FooDB	DUKE
Plant		Sesamum orientale	FooDB	Manually Annotated
Plant		Satureja hortensis	FooDB	Manually Annotated
Plant		Artocarpus heterophyllus	FooDB	Manually Annotated
Plant		Glycine max	FooDB	Manually Annotated
Plant		Vigna umbellata	FooDB	Manually Annotated
Plant		Rubus occidentalis	FooDB	Manually Annotated
Plant		Lagenaria siceraria	FooDB	Manually Annotated
Plant		Allium fistulosum	FooDB	Manually Annotated
Plant		Phaseolus lunatus	FooDB	Manually Annotated
Plant		Capsicum	FooDB	Manually Annotated
Plant		Daucus carota ssp. sativus	FooDB	Manually Annotated
Plant		Lupinus	FooDB	Manually Annotated
Plant	Seed	Coffea arabica	FooDB	DUKE
Plant		Musa acuminata	FooDB	Manually Annotated
Plant		Tilia cordata	FooDB	Manually Annotated
Plant		Vigna unguiculata ssp. unguiculata	FooDB	Manually Annotated
Plant		Phyllostachys edulis	FooDB	Manually Annotated
Plant		Ribes glandulosum	FooDB	Manually Annotated
Plant		Luffa aegyptiaca	FooDB	Manually Annotated
Plant		Linum usitatissimum	FooDB	Manually Annotated
Plant		Cymbopogon citratus	FooDB	Manually Annotated
Plant	Fruit	Phoenix dactylifera	FooDB	DUKE
Plant		Vaccinium alaskaense	FooDB	Manually Annotated
Plant		Verbena officinalis	FooDB	Manually Annotated
Plant		Carum carvi	FooDB	Manually Annotated
Plant		Durio zibethinus	FooDB	Manually Annotated
Plant		Allium schoenoprasum	FooDB	Manually Annotated
Plant		Citrullus lanatus	FooDB	Manually Annotated
Plant		Vaccinium oxycoccos	FooDB	Manually Annotated
Plant		Averrhoa carambola	FooDB	Manually Annotated
Plant		Prunus armeniaca	FooDB	Manually Annotated
Plant		Prunus domestica	FooDB	Manually Annotated
Plant		Bertholletia excelsa	FooDB	Manually Annotated
Plant		Aloysia triphylla	FooDB	Manually Annotated
Plant		Brassica oleracea var. italica	FooDB	Manually Annotated
Plant		Vaccinium parvifolium	FooDB	Manually Annotated
Plant		Capsicum chinense	FooDB	Manually Annotated
Plant		Ceratonia siliqua	FooDB	Manually Annotated
Plant	Seed	Lupinus albus	FooDB	DUKE
Plant		Brassica rapa var. rapa	FooDB	Manually Annotated
Plant		Coriandrum sativum	FooDB	Manually Annotated
Plant		Anethum graveolens	FooDB	Manually Annotated
Plant	Plant	Salvia officinalis	FooDB	DUKE
Plant		Carthamus tinctorius	FooDB	Manually Annotated
Plant	Plant		FooDB	DUKE
Plant		Cicer arietinum	FooDB	Manually Annotated
Plant		Oenothera biennis	FooDB	Manually Annotated
Plant		Vaccinium reticulatum	FooDB	Manually Annotated
Plant		Satureja montana	FooDB	Manually Annotated
Plant		Prunus persica var. nucipersica	FooDB	Manually Annotated
Plant		Vaccinium arboreum	FooDB	Manually Annotated
Plant		Anacardium occidentale	FooDB	Manually Annotated
Plant		Solanum quitoense	FooDB	Manually Annotated
Plant		Origanum onites	FooDB	Manually Annotated
Plant	Seed	Momordica charantia	FooDB	DUKE
Plant		Brassica napus var. pabularia	FooDB	Manually Annotated
Plant	Fruit	Citrus sinensis	FooDB	DUKE
Plant		Eriobotrya japonica	FooDB	Manually Annotated
Plant		Diospyros kaki	FooDB	Manually Annotated
Plant		Virola surinamensis	FooDB	Manually Annotated
Plant		Perideridia oregana	FooDB	Manually Annotated
Plant		Rumex acetosa	FooDB	Manually Annotated
Plant		Theobroma cacao	FooDB	Manually Annotated
Plant		Wasabia japonica	FooDB	Manually Annotated
Plant		Pyrus pyrifolia	FooDB	Manually Annotated
Plant		Vaccinium uliginosum	FooDB	Manually Annotated
Plant		Viburnum edule	FooDB	Manually Annotated
Plant			FooDB	Manually Annotated
Plant		Brassica oleracea var. capitata	FooDB	Manually Annotated
Plant		Vigna unguiculata ssp. cylindrica	FooDB	Manually Annotated
Plant		Citrus japonica	FooDB	Manually Annotated
Plant		Theobroma grandiflorum	FooDB	Manually Annotated

Source Type	Activity	Data Source	Reference
Drugs	Antimicrobial	U.S. Environmental Protection Agency	CompTox
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	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB
Human Saliva	Detected and Quantified	1.68	2.90			uM	Adult (>18 years old)	Male	Alzheimer's disease	HMDB	23857558
Human Cerebrospinal fluid (csf)	Detected and Quantified	1.77	0.16			umol/mmol creatinine	Adult (>18 years old)	Both	Alzheimer's disease	HMDB	17031479
Human Blood	Detected and Quantified	36.5	17.2			uM	Adult (>18 years old)	Female	Early preeclampsia	HMDB	22494326
Human Blood	Detected and Quantified	39.9	3.2			uM	Adult (>18 years old)	Both	Epilepsy	HMDB	14992292
Human Saliva	Detected and Quantified	0.97	1.12			uM	Adult (>18 years old)	Male	Frontotemporal lobe dementia	HMDB	23857558
Human Blood	Detected and Quantified	99				uM	Infant (0-1 year old)	Male	Fumaric aciduria	HMDB	20549362
Human Urine	Detected and Quantified			20.700	447	umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Fumaric aciduria	HMDB	20549362
Human Blood	Detected and Quantified	31.3	11.3			uM	Adult (>18 years old)	Female	Late-onset preeclampsia	HMDB	23159745
Human Cerebrospinal fluid (csf)	Detected and Quantified	11.1	6.7			uM	Children (1-13 years old)	Not Specified	leukemia	HMDB	15911239
Human Cerebrospinal fluid (csf)	Detected and Quantified	7.9	6.4			uM	Children (1-13 years old)	Not Specified	Leukemia	HMDB	15911239
Human Saliva	Detected and Quantified	3.02	0.83			uM	Adult (>18 years old)	Both	Lewy body disease	HMDB	23857558
Human Blood	Detected and Quantified	25.6	10.3			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23313728
Human Blood	Detected and Quantified	31.89	13.6			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23535240
Human Blood	Detected and Quantified	32.4	13.7			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23159745
Human Blood	Detected and Quantified	34.5	14.5			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	22494326
Human Cerebrospinal fluid (csf)	Detected and Quantified	6.01	0.65			uM	Adult (>18 years old)	Both	Schizophrenia	HMDB	7595563
Human Blood	Detected and Quantified	40.8	11.5			uM	Children (1-13 years old)	Both	Uremia	HMDB	11865086
Human Urine	Detected and Quantified	8.75				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	19309105
Human Urine	Detected and Quantified	<3.0				umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	3168222
Human Urine	Detected and Quantified	<4.0				umol/mmol creatinine	Infant (1 - 6 months old)	Both	Normal	HMDB	3168222
Human Urine	Detected and Quantified	<5.0				umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	3168222
Human Urine	Detected and Quantified			0.42	10.5	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	32340350
Human Urine	Detected and Quantified	0.96	0.65			umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	2026685
Human Saliva	Detected and Quantified	1.76	2.11			uM	Adult (>18 years old)	Female	Normal	HMDB	23857558
Human Urine	Detected and Quantified	10.0		4.6	16.32	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	18004736
Human Urine	Detected and Quantified	10.1		4.6	17.8	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	10.52	3.85			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	15992788
Human Breast milk	Detected and Quantified	16.6	10.5			uM	Adult (>18 years old)	Female	Normal	HMDB	24027187
Human Cerebrospinal fluid (csf)	Detected and Quantified	19.0	11.1			uM	Children (1-13 years old)	Not Specified	Normal	HMDB	15911239
Human Urine	Detected and Quantified			2.1	5.5	umol/mmol creatinine	Adult (>18 years old)	Female	Normal	HMDB	27012787
Human Urine	Detected and Quantified			2.5	3.7	umol/mmol creatinine	Adult (>18 years old)	Male	Normal	HMDB	27012787
Human Urine	Detected and Quantified	2.68		0.36	10.57	umol/mmol creatinine	Newborn (0-30 days old)	Male	Normal	HMDB	32340350
Human Urine	Detected and Quantified	2.81		1.84	5.77	umol/mmol creatinine	Newborn (0-30 days old)	Female	Normal	HMDB	32340350
Human Blood	Detected and Quantified			29	132	uM	Infant (0-1 year old)	Not Specified	Normal	HMDB	20549362
Human Feces	Detected and Quantified	30	30			nmol/g wet feces	Adult (>18 years old)	Both	Normal	HMDB	27624970
Human Blood	Detected and Quantified	32.9	7.6			uM	Adult (>18 years old)	Both	Normal	HMDB	11865086
Human Blood	Detected and Quantified	35.0		16.4	57.2	uM	Adult (>18 years old)	Both	Normal	HMDB	18004736
Human Urine	Detected and Quantified			4.296	155.231	umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Normal	HMDB	20549362
Human Cerebrospinal fluid (csf)	Detected and Quantified	4.43		0.0	8.86	uM	Adult (>18 years old)	Both	Normal	HMDB	18502700
Human Urine	Detected and Quantified			4.66	16.53	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	18004736
Human Blood	Detected and Quantified	41.0		31.0	51.0	uM	Adult (>18 years old)	Both	Normal	HMDB	12297216
Human Blood	Detected and Quantified	48.4	9.29			uM	Adult (>18 years old)	Both	Normal	HMDB	28278231
Human Cerebrospinal fluid (csf)	Detected and Quantified	5.99	0.92			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	7595563
Human Blood	Detected and Quantified	54.4		47.3	68.3	uM	Children (1-13 uears old)	Both	Normal	HMDB	27294788
Human Cerebrospinal fluid (csf)	Detected and Quantified	6.20		5.90	6.50	uM	Adult (>18 years old)	Both	Normal	HMDB	14992292
Human Blood	Detected and Quantified	61.7	12.09			uM	Adult (>18 years old)	Both	Normal	HMDB	26010610
Human Cerebrospinal fluid (csf)	Detected and Quantified	8.1	4.9			uM	Adult (>18 years old)	Male	Normal	HMDB	6198473
Human Urine	Detected and Quantified	8.8		4.6	17.7	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Blood	Detected and Quantified	82.4	7.3			uM	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human Cerebrospinal fluid (csf)	Detected and Quantified	9.0	4.2			uM	Adult (>18 years old)	Female	Normal	HMDB	6198473
Human Urine	Detected and Quantified	9.5		3.0	26.0	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected and Quantified	29.6797	15.0964			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	35.098	22.947			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	25.158	23.462			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	35.7098	12.6254			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Cerebrospinal fluid (csf)	Detected and Quantified			4	10	uM	Children (0 - 10 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Cerebrospinal fluid (csf)	Detected and Quantified			4	10	uM	Adolescent (>11 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			0	19.56	umol/mmol creatinine	Adolescent (13 - 21 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			0	19.56	umol/mmol creatinine	Adult (>21 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			0	25.33	umol/mmol creatinine	Children (4 - 13 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			0	26.23	umol/mmol creatinine	Children (2 - 4 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			0	28.15	umol/mmol creatinine	Children (1 - 2 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			0	32.00	umol/mmol creatinine	Infant (6 months - <1 year old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			0	53.03	umol/mmol creatinine	Infant (1 - 6 months old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			0	77.90	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			23	79	uM	Children (3 months - 6 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			25	75	uM	Children (6 - 18 years old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			33	77	uM	Infant (1 - 3 months old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Blood	Detected and Quantified			36	87	uM	Newborn (0-30 days old)	Both	Normal	HMDB	BC Children's Hospital Biochemical Genetics Lab
Human Urine	Detected and Quantified			15.15	53.01	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	David F. Putnam Composition and Concentrative Properties of Human Urine. NASA Contractor Report. July 1971
Human Blood	Detected and Quantified	46.0	7.0			uM	Children (1-13 years old)	Female	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	47.0	9.0			uM	Adult (>18 years old)	Female	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	48.0	7.0			uM	Children (1-13 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	49.0	7.0			uM	Adult (>18 years old)	Male	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Cerebrospinal fluid (csf)	Detected and Quantified	5.4	1.4			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Saliva	Detected and Quantified	0.580	0.511			uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	1.20	0.809			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	1.24	0.768			uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	1.70	1.69			uM	Adult (>18 years old)	Female	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	1.74	0.972			uM	Adult (>18 years old)	Not Specified	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Saliva	Detected and Quantified	2.17	1.41			uM	Adult (>18 years old)	Both	Normal	HMDB	Sugimoto et al. (2013) Physiological and environmental parameters associated with mass spectrometry-based salivary metabolomic profiles.
Human Blood	Detected and Quantified			29.0	90.0	uM	Adult (>18 years old)	Both	Normal	HMDB	Molecular You (https://molecularyou.com)
Human Urine	Detected and Quantified			2.49	32.012	umol/mmol creatinine	Adolescent (13-18 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			2.83	113.12	umol/mmol creatinine	Infant (0-1 year old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			2.83	26.92	umol/mmol creatinine	Adult (>18 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			3.17	46.60	umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			4.30	44.79	umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human Urine	Detected and Quantified			7.013	100.00	umol/mmol creatinine	Children (1-13 years old)	Not Specified	Normal	HMDB	Mayo Clinic (https://neurology.testcatalog.org/show/AAPD)
Human All tissues	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Prostate	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	21389975
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	18052033
Human Feces	Detected but not Quantified						Children (1-13 years old)	Not Specified	Normal	HMDB	21970810
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25670064
Human Feces	Detected but not Quantified						Children (1-13 years old)	Both	Normal	HMDB	21970810
Human Feces	Detected but not Quantified						Children (1-13 years old)	Not Specified	Normal	HMDB	27452636
Human Feces	Detected but not Quantified						Children (6 - 18 years old)	Both	Normal	HMDB	27609529
Human Feces	Detected but not Quantified						Children (6 - 18 years old)	Not Specified	Normal	HMDB	27609529
Human Feces	Detected but not Quantified						Adult (>18 years old)	Male	Normal	HMDB	28270806
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	27543620
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	25037050
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	29808030
Human Blood	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	32966057

External Links

HMDB ID

HMDB0000168

DrugBank ID

DB00174

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

6267

PDB ID

Not Available

ChEBI ID

17196

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

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Fischer D, Schroers A, Blumcke I, Urbach H, Zerres K, Mortier W, Vorgerd M, Schroder R: Consequences of a novel caveolin-3 mutation in a large German family. Ann Neurol. 2003 Feb;53(2):233-41. doi: 10.1002/ana.10442. [PubMed:12557291 ]
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Peng CT, Wu KH, Lan SJ, Tsai JJ, Tsai FJ, Tsai CH: Amino acid concentrations in cerebrospinal fluid in children with acute lymphoblastic leukemia undergoing chemotherapy. Eur J Cancer. 2005 May;41(8):1158-63. doi: 10.1016/j.ejca.2005.02.013. Epub 2005 Apr 14. [PubMed:15911239 ]
Sun S, Han J, Ralph WM Jr, Chandrasekaran A, Liu K, Auborn KJ, Carter TH: Endoplasmic reticulum stress as a correlate of cytotoxicity in human tumor cells exposed to diindolylmethane in vitro. Cell Stress Chaperones. 2004 Mar;9(1):76-87. doi: 10.1379/csc-2r.1. [PubMed:15270080 ]
Cynober LA: Plasma amino acid levels with a note on membrane transport: characteristics, regulation, and metabolic significance. Nutrition. 2002 Sep;18(9):761-6. doi: 10.1016/s0899-9007(02)00780-3. [PubMed:12297216 ]
Rainesalo S, Keranen T, Palmio J, Peltola J, Oja SS, Saransaari P: Plasma and cerebrospinal fluid amino acids in epileptic patients. Neurochem Res. 2004 Jan;29(1):319-24. doi: 10.1023/b:nere.0000010461.34920.0c. [PubMed:14992292 ]
Takamatsu S, Inoue N, Katsumata T, Nakamura K, Fujibayashi Y, Takeuchi M: The relationship between the branch-forming glycosyltransferases and cell surface sugar chain structures. Biochemistry. 2005 Apr 26;44(16):6343-9. doi: 10.1021/bi047606a. [PubMed:15835923 ]
Rip JW, Coulter-Mackie MB, Rupar CA, Gordon BA: Purification and structure of human liver aspartylglucosaminidase. Biochem J. 1992 Dec 15;288 ( Pt 3):1005-10. doi: 10.1042/bj2881005. [PubMed:1281977 ]
Chiara F, Goumans MJ, Forsberg H, Ahgren A, Rasola A, Aspenstrom P, Wernstedt C, Hellberg C, Heldin CH, Heuchel R: A gain of function mutation in the activation loop of platelet-derived growth factor beta-receptor deregulates its kinase activity. J Biol Chem. 2004 Oct 8;279(41):42516-27. doi: 10.1074/jbc.M406051200. Epub 2004 Jul 28. [PubMed:15284236 ]
Xu L, Wang Y, Gillespie D, Meissner G: Two rings of negative charges in the cytosolic vestibule of type-1 ryanodine receptor modulate ion fluxes. Biophys J. 2006 Jan 15;90(2):443-53. doi: 10.1529/biophysj.105.072538. Epub 2005 Oct 20. [PubMed:16239337 ]
Poon CJ, Plaas AH, Keene DR, McQuillan DJ, Last K, Fosang AJ: N-linked keratan sulfate in the aggrecan interglobular domain potentiates aggrecanase activity. J Biol Chem. 2005 Jun 24;280(25):23615-21. doi: 10.1074/jbc.M412145200. Epub 2005 Apr 22. [PubMed:15849197 ]
Ahlman B, Andersson K, Leijonmarck CE, Ljungqvist O, Hedenborg L, Wernerman J: Short-term starvation alters the free amino acid content of the human intestinal mucosa. Clin Sci (Lond). 1994 Jun;86(6):653-62. doi: 10.1042/cs0860653. [PubMed:7914846 ]
Avramis VI, Panosyan EH: Pharmacokinetic/pharmacodynamic relationships of asparaginase formulations: the past, the present and recommendations for the future. Clin Pharmacokinet. 2005;44(4):367-93. doi: 10.2165/00003088-200544040-00003. [PubMed:15828851 ]
Mohrmann K, van Eijndhoven MA, Schinkel AH, Schellens JH: Absence of N-linked glycosylation does not affect plasma membrane localization of breast cancer resistance protein (BCRP/ABCG2). Cancer Chemother Pharmacol. 2005 Oct;56(4):344-50. doi: 10.1007/s00280-005-1004-5. Epub 2005 May 5. [PubMed:15875186 ]
Hagenfeldt L, Bjerkenstedt L, Edman G, Sedvall G, Wiesel FA: Amino acids in plasma and CSF and monoamine metabolites in CSF: interrelationship in healthy subjects. J Neurochem. 1984 Mar;42(3):833-7. doi: 10.1111/j.1471-4159.1984.tb02756.x. [PubMed:6198473 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
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 L-Asparagine (MMDBc0000054)

MOL for #<Metabolite:0x00007fdb17f9f6d8>

3D MOL for #<Metabolite:0x00007fdb17f9f6d8>

3D SDF for #<Metabolite:0x00007fdb17f9f6d8>

3D-SDF for #<Metabolite:0x00007fdb17f9f6d8>

PDB for #<Metabolite:0x00007fdb17f9f6d8>

3D PDB for #<Metabolite:0x00007fdb17f9f6d8>

SMILES for #<Metabolite:0x00007fdb17f9f6d8>

INCHI for #<Metabolite:0x00007fdb17f9f6d8>

Structure for #<Metabolite:0x00007fdb17f9f6d8>

3D Structure for #<Metabolite:0x00007fdb17f9f6d8>