Milk Composition Database: Showing metabocard for L-Aspartic acid (BMDB0000191)

Identification Taxonomy Physical properties Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 22:26:31 UTC

Update Date

2020-06-04 22:23:45 UTC

MCDB ID

BMDB0000191

Secondary Accession Numbers

BMDB00191

Metabolite Identification

Common Name

L-Aspartic acid

Description

L-Aspartic acid, also known as Asp or D, belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. L-Aspartic acid exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. L-Aspartic acid exists in all living species, ranging from bacteria to humans. L-Aspartic acid has been found to be associated with several diseases known as frontotemporal dementia, pancreatic cancer, cirrhosis, and perillyl alcohol administration for cancer treatment; also l-aspartic acid has been linked to the inborn metabolic disorders including growth hormone deficiency.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(S)-2-Aminobutanedioic acid	ChEBI
(S)-2-Aminosuccinic acid	ChEBI
2-Aminosuccinic acid	ChEBI
Asp	ChEBI
ASPARTIC ACID	ChEBI
D	ChEBI
L-Asparaginsaeure	ChEBI
L-Asp	Kegg
(S)-2-Aminobutanedioate	Generator
(S)-2-Aminosuccinate	Generator
2-Aminosuccinate	Generator
ASPARTate	Generator
L-Aspartate	Generator
(+)-Aspartate	HMDB
(+)-Aspartic acid	HMDB
(2S)-Aspartate	HMDB
(2S)-Aspartic acid	HMDB
(L)-Aspartate	HMDB
(L)-Aspartic acid	HMDB
(R)-2-Aminosuccinate	HMDB
(S)-(+)-Aspartate	HMDB
(S)-(+)-Aspartic acid	HMDB
(S)-Amino-butanedioate	HMDB
(S)-Amino-butanedioic acid	HMDB
(S)-Aminobutanedioate	HMDB
(S)-Aminobutanedioic acid	HMDB
(S)-Aspartate	HMDB
(S)-Aspartic acid	HMDB
2-Amino-3-methylsuccinate	HMDB
2-Amino-3-methylsuccinic acid	HMDB
alpha-Aminosuccinate	HMDB
alpha-Aminosuccinic acid	HMDB
Aminosuccinate	HMDB
Asparagate	HMDB
Asparagic acid	HMDB
Asparaginate	HMDB
Asparaginic acid	HMDB
Asparatate	HMDB
H-Asp-OH	HMDB
L-(+)-Aspartate	HMDB
L-(+)-Aspartic acid	HMDB
L-Aminosuccinate	HMDB
L-Aminosuccinic acid	HMDB
L-Asparagate	HMDB
L-Asparagic acid	HMDB
L-Asparaginate	HMDB
L-Asparaginic acid	HMDB
(+-)-Aspartic acid	HMDB
(R,S)-Aspartic acid	HMDB
Aspartate, disodium	HMDB
Aspartate, magnesium	HMDB
Aspartate, monopotassium	HMDB
Aspartic acid, dipotassium salt	HMDB
Aspartic acid, hydrobromide	HMDB
Aspartic acid, monopotassium salt	HMDB
Aspartic acid, monosodium salt	HMDB
Aspartic acid, potassium salt	HMDB
L Aspartate	HMDB
MG5Longoral	HMDB
Potassium aspartate	HMDB
Polysuccinimide	HMDB
Ammonium aspartate	HMDB
Aspartate, ammonium	HMDB
Aspartate, calcium	HMDB
Aspartate, monosodium	HMDB
Aspartic acid, calcium salt	HMDB
Aspartic acid, disodium salt	HMDB
Aspartic acid, magnesium (1:1) salt, hydrochloride, trihydrate	HMDB
Dipotassium aspartate	HMDB
Disodium aspartate	HMDB
Hydrochloride, aspartate magnesium	HMDB
Monopotassium aspartate	HMDB
Sodium aspartate	HMDB
Aspartate, dipotassium	HMDB
Aspartic acid, magnesium (2:1) salt	HMDB
Aspartic acid, sodium salt	HMDB
Hydrobromide aspartic acid	HMDB
Magnesium aspartate	HMDB
MG 5 Longoral	HMDB
Monosodium aspartate	HMDB
Aspartate magnesium hydrochloride	HMDB
Aspartate, potassium	HMDB
Aspartate, sodium	HMDB
Aspartic acid, ammonium salt	HMDB
Aspartic acid, hydrochloride	HMDB
Aspartic acid, magnesium-potassium (2:1:2) salt	HMDB
Calcium aspartate	HMDB
Hydrochloride aspartic acid	HMDB
L Aspartic acid	HMDB
Magnesiocard	HMDB
MG-5-Longoral	HMDB
Poly-DL-succinimide	HMDB

Chemical Formula

C₄H₇NO₄

Average Molecular Weight

133.1027

Monoisotopic Molecular Weight

133.037507717

IUPAC Name

(2S)-2-aminobutanedioic acid

Traditional Name

L-aspartic acid

CAS Registry Number

56-84-8

SMILES

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

InChI Identifier

InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1

InChI Key

CKLJMWTZIZZHCS-REOHCLBHSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid 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

Aspartic acid and derivatives

Alternative Parents

Substituents

Aspartic acid or derivatives
Alpha-amino acid
L-alpha-amino acid
Dicarboxylic acid or derivatives
Fatty acid
Amino acid
Carboxylic acid
Organic oxide
Organopnictogen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Organic oxygen compound
Carbonyl group
Amine
Organic nitrogen compound
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

aspartate family amino acid (CHEBI:17053 )
proteinogenic amino acid (CHEBI:17053 )
L-alpha-amino acid (CHEBI:17053 )
aspartic acid (CHEBI:17053 )
Common amino acids (C00049 )
Amino acids (C00049 )

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	270 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	5.39 mg/mL	YALKOWSKY,SH & DANNENFELSER,RM (1992)
LogP	-3.89	CHMELIK,J ET AL. (1991)

Predicted Properties

Property	Value	Source
logP	-3.5	ALOGPS
logP	-3.5	ChemAxon
logS	0.03	ALOGPS
pKa (Strongest Acidic)	1.7	ChemAxon
pKa (Strongest Basic)	9.61	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	100.62 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	26.53 m³·mol⁻¹	ChemAxon
Polarizability	11.28 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	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)	splash10-0f89-0960000000-5a6a6cb21e9fc0875f84	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)	splash10-0f89-0950000000-51399a8446c394459765	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)	splash10-0f89-0950000000-f07e7f52b3c31fd119f5	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)	splash10-0f89-0950000000-9e175dfa17a8b17a72d2	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)	splash10-0f89-0950000000-f4475587d5a3b20bfc58	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-9430000000-0cac9a97e698db1672b5	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (2 TMS)	splash10-03yi-1900000000-ea61b8526ee02ae79b66	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (3 TMS)	splash10-0f89-1890000000-7da576c8129142b71a1b	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (4 TMS)	splash10-0pb9-0981000000-ad23d55e348f55115f00	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-001i-0590000000-13cc5a7841854e97f68b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0f89-0960000000-5a6a6cb21e9fc0875f84	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0f89-0950000000-51399a8446c394459765	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0f89-0950000000-f07e7f52b3c31fd119f5	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0f89-0950000000-9e175dfa17a8b17a72d2	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-0f89-0950000000-f4475587d5a3b20bfc58	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-QQ (Non-derivatized)	splash10-0g4i-6946100000-0ae49e3be0f2f1f92065	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-00di-9430000000-0cac9a97e698db1672b5	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-03yi-1900000000-ea61b8526ee02ae79b66	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0f89-1890000000-7da576c8129142b71a1b	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0pb9-0981000000-ad23d55e348f55115f00	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-000f-9100000000-b7db3377089f4c95001b	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-01w4-9610000000-0f1463c6395830708e12	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-05	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-0079-9300000000-92f9914d94078d96f5cf	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-00di-9000000000-c467d10f2b7e21ed1734	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-00dl-9000000000-87f0c58226f5a2f3ac8a	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-00di-0900000000-fde7ef1951fddff4b817	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-0uk9-8900000000-2d7e5609618437e59272	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000i-9000000000-4b43567f4a446aed0828	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-014i-4900000000-45382d9abd25be948e5b	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-001i-0900000000-3f39a9b758e282358ac0	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-014i-3900000000-44d361ad09ff9a30dd14	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-000i-9000000000-18e1dba62e6b803e17b8	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive	splash10-0002-0930000000-d97f9518a2d516d830c5	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-02ai-0962100000-909bb894b2c1318afee4	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-00di-9000000000-f2059dd438fcf62f62e1	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-03dr-7900000000-8b7b89ed34530e331024	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-014i-0190000000-58a78949f4b93de22aab	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-001i-0921000000-214b6b969fdc4216ca71	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-03dr-6900000000-4918748927dd097d2879	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-001i-0900000000-88dc2f1093f261e76201	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative	splash10-004i-0290000000-a8856f56645a2961baac	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-001i-0900000000-8cf9870557ca9adc3374	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-000i-9400000000-81b2804a712625a2d9c4	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-000i-9000000000-9bf77ba12ad952f84ac0	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-00di-9000000000-e08bfb96c5fd8c9b9db7	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-0006-9000000000-876e30f6c9ed061091fe	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive	splash10-00dl-9000000000-6c0d44d4e3853e5701a3	2012-08-31	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	Not Available	2012-12-04	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 125 MHz, H₂O, experimental)	Not Available	2012-12-04	View Spectrum
1D NMR	¹H NMR Spectrum (1D, D₂O, experimental)	Not Available	2016-10-22	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Not Available	2021-09-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, H₂O, experimental)	Not Available	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)	Not Available	2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 400 MHz, H₂O, experimental)	Not Available	2012-12-05	View Spectrum

Concentrations

Status	Value	Reference	Details
Detected but not Quantified	Not Applicable	Kurt J. Boudonck,...	details
Detected but not Quantified	Not Applicable	PMID: 23438684	details
Detected and Quantified	10 - 77 uM	PMID: 20338431	details
Detected and Quantified	21788 uM	Fooddata+, T...	details
Detected and Quantified	21788 uM	Fooddata+, T...	details
Detected and Quantified	21788 uM	Fooddata+, T...	details
Detected and Quantified	21788 uM	Fooddata+, T...	details
Detected and Quantified	21036 uM	Fooddata+, T...	details
Detected and Quantified	21036 uM	Fooddata+, T...	details
Detected and Quantified	21036 uM	Fooddata+, T...	details
Detected but not Quantified	Not Applicable	Kurt J. Boudonck,...	details
Detected and Quantified	20 +/- 1 uM	PMID: 30994344	details
Detected and Quantified	19 +/- 3 uM	PMID: 30994344	details
Detected and Quantified	19 +/- 3 uM	PMID: 30994344	details
Detected and Quantified	21 +/- 3 uM	PMID: 30994344	details
Detected and Quantified	19 +/- 1 uM	PMID: 30994344	details
Detected and Quantified	20 +/- 2 uM	PMID: 30994344	details
Detected and Quantified	19 +/- 1 uM	PMID: 30994344	details
Detected and Quantified	21 +/- 2 uM	PMID: 30994344	details
Detected and Quantified	29 +/- 13 uM	PMID: 29642378	details
Detected and Quantified	20 +/- 7.1 uM	PMID: 29642378	details
Detected and Quantified	29 +/- 11 uM	PMID: 29642378	details

External Links

HMDB ID

HMDB0000191

DrugBank ID

DB00128

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Wikipedia Link

METLIN ID

PubChem Compound

PDB ID

Not Available

ChEBI ID

17053

References

Synthesis Reference

Pamfil, Maria; Lupescu, Irina; Savoiu, Valeria Gabriela. L-aspartic acid production from fumarate using Escherichia coli whole cells. Rom. (2005), 3pp.

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Klein MS, Almstetter MF, Schlamberger G, Nurnberger N, Dettmer K, Oefner PJ, Meyer HH, Wiedemann S, Gronwald W: Nuclear magnetic resonance and mass spectrometry-based milk metabolomics in dairy cows during early and late lactation. J Dairy Sci. 2010 Apr;93(4):1539-50. doi: 10.3168/jds.2009-2563. [PubMed:20338431 ]
Melzer N, Wittenburg D, Hartwig S, Jakubowski S, Kesting U, Willmitzer L, Lisec J, Reinsch N, Repsilber D: Investigating associations between milk metabolite profiles and milk traits of Holstein cows. J Dairy Sci. 2013 Mar;96(3):1521-34. doi: 10.3168/jds.2012-5743. [PubMed:23438684 ]
Mung D, Li L: Development of Chemical Isotope Labeling LC-MS for Milk Metabolomics: Comprehensive and Quantitative Profiling of the Amine/Phenol Submetabolome. Anal Chem. 2017 Apr 18;89(8):4435-4443. doi: 10.1021/acs.analchem.6b03737. Epub 2017 Mar 28. [PubMed:28306241 ]
O'Callaghan TF, Vazquez-Fresno R, Serra-Cayuela A, Dong E, Mandal R, Hennessy D, McAuliffe S, Dillon P, Wishart DS, Stanton C, Ross RP: Pasture Feeding Changes the Bovine Rumen and Milk Metabolome. Metabolites. 2018 Apr 6;8(2). pii: metabo8020027. doi: 10.3390/metabo8020027. [PubMed:29642378 ]
Mung D, Li L: Applying quantitative metabolomics based on chemical isotope labeling LC-MS for detecting potential milk adulterant in human milk. Anal Chim Acta. 2018 Feb 25;1001:78-85. doi: 10.1016/j.aca.2017.11.019. Epub 2017 Nov 14. [PubMed:29291809 ]
Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff and John A. Ryals (2009). Kurt J. Boudonck, Matthew W. Mitchell, Jacob Wulff and John A. Ryals. Characterization of the biochemical variability of bovine milk using metabolomics. Metabolomics (2009) 5:375?386. Metabolomics.
A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
Fooddata+, The Technical University of Denmark (DTU) [Link]

Showing metabocard for L-Aspartic acid (BMDB0000191)

Structure for BMDB0000191 (L-Aspartic acid)