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Record Information
Version1.0
Creation Date2016-09-30 22:20:21 UTC
Update Date2020-06-04 22:07:36 UTC
BMDB IDBMDB0000161
Secondary Accession Numbers
  • BMDB00161
Metabolite Identification
Common NameL-Alanine
DescriptionL-Alanine, also known as (S)-alanine or L-alpha-alanine, 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. L-Alanine is a drug which is used for protein synthesis. L-Alanine exists as a solid, possibly soluble (in water), and a very strong basic compound (based on its pKa) molecule. L-Alanine exists in all living species, ranging from bacteria to humans. L-Alanine is a potentially toxic compound. L-Alanine has been found to be associated with several diseases known as eosinophilic esophagitis, late-onset preeclampsia, autism, and perillyl alcohol administration for cancer treatment; also l-alanine has been linked to the inborn metabolic disorders including glucagon deficiency.
Structure
Thumb
Synonyms
ValueSource
(2S)-2-Aminopropanoic acidChEBI
(S)-2-Aminopropanoic acidChEBI
(S)-AlanineChEBI
AChEBI
AlaChEBI
ALANINEChEBI
L-2-Aminopropionic acidChEBI
L-AlaninChEBI
L-alpha-AlanineChEBI
(2S)-2-AminopropanoateGenerator
(S)-2-AminopropanoateGenerator
L-2-AminopropionateGenerator
L-a-AlanineGenerator
L-Α-alanineGenerator
(S)-(+)-AlanineHMDB
(S)-2-Amino-propanoateHMDB
(S)-2-Amino-propanoic acidHMDB
2-AminopropanoateHMDB
2-Aminopropanoic acidHMDB
2-AminopropionateHMDB
2-Aminopropionic acidHMDB
2-AmmoniopropanoateHMDB
2-Ammoniopropanoic acidHMDB
a-AlanineHMDB
a-AminopropionateHMDB
a-Aminopropionic acidHMDB
alpha-AlanineHMDB
alpha-AminopropanoateHMDB
alpha-Aminopropanoic acidHMDB
alpha-AminopropionateHMDB
alpha-Aminopropionic acidHMDB
L-(+)-AlanineHMDB
L-2-AminopropanoateHMDB
L-2-Aminopropanoic acidHMDB
L-a-AminopropionateHMDB
L-a-Aminopropionic acidHMDB
L-alpha-AminopropionateHMDB
L-alpha-Aminopropionic acidHMDB
AbufèneHMDB
Alanine doms-adrian brandHMDB
Alanine, L-isomerHMDB
Doms-adrian brand OF alanineHMDB
Doms adrian brand OF alanineHMDB
L-Isomer alanineHMDB
Alanine, L isomerHMDB
L AlanineHMDB
Chemical FormulaC3H7NO2
Average Molecular Weight89.0932
Monoisotopic Molecular Weight89.047678473
IUPAC Name(2S)-2-aminopropanoic acid
Traditional NameL-alanine
CAS Registry Number56-41-7
SMILES
C[C@H](N)C(O)=O
InChI Identifier
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChI KeyQNAYBMKLOCPYGJ-REOHCLBHSA-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.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlanine and derivatives
Alternative Parents
Substituents
  • Alanine or derivatives
  • Alpha-amino acid
  • L-alpha-amino acid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Primary aliphatic amine
  • Carbonyl group
  • Amine
  • Organopnictogen compound
  • Organic oxide
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusDetected and Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locations
  • Cytoplasm
  • Lysosome
  • Mitochondria
  • Peroxisome
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point300 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility204 mg/mLHuman Metabolome Project
LogP-2.85SANGSTER (1994)
Predicted Properties
PropertyValueSource
logP-3ALOGPS
logP-2.8ChemAxon
logS0.7ALOGPS
pKa (Strongest Acidic)2.47ChemAxon
pKa (Strongest Basic)9.48ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity20.5 m³·mol⁻¹ChemAxon
Polarizability8.49 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
GC-MSGC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (1 TMS)splash10-014i-0900000000-c7f6dbace291e8305a4eView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-014i-0900000000-381ddf4d9ea77be0b8a5View in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-01b9-6900000000-6a7c1bb2915e5dd0791fView in MoNA
GC-MSGC-MS Spectrum - GC-MS (2 TMS)splash10-014i-1900000000-84b389f82562c29a8148View in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-00kf-9000000000-b2f7507be509a85d821bView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-014i-0900000000-941672891ab94cf5015dView in MoNA
GC-MSGC-MS Spectrum - EI-B (Non-derivatized)splash10-0f79-0910000000-47bd3e3aa274a653a64eView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-014i-0900000000-c7f6dbace291e8305a4eView in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-014i-0900000000-381ddf4d9ea77be0b8a5View in MoNA
GC-MSGC-MS Spectrum - GC-EI-QQ (Non-derivatized)splash10-0a4i-1940000000-5def9f7c902aaf1ef607View in MoNA
GC-MSGC-MS Spectrum - GC-EI-TOF (Non-derivatized)splash10-01b9-6900000000-6a7c1bb2915e5dd0791fView in MoNA
GC-MSGC-MS Spectrum - GC-MS (Non-derivatized)splash10-014i-1900000000-84b389f82562c29a8148View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9000000000-d31f7a2ed8284a740b59View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-0006-9100000000-ab365202f52df8e6d401View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-0006-9000000000-96b54b269c91ab21be08View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-0006-9000000000-a8008305399aa1097e1aView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-0006-9000000000-7253c912562200edc231View in MoNA
LC-MS/MSLC-MS/MS Spectrum - EI-B (HITACHI RMU-6M) , Positivesplash10-00kf-9000000000-72694f3a1a5de3b49790View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negativesplash10-000i-9000000000-55d0139f513946f76461View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negativesplash10-000i-9000000000-5b0dff13a98daf782205View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negativesplash10-000i-9000000000-37db595fcf7364600bc9View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positivesplash10-0006-9000000000-5129e160acf979ac549eView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positivesplash10-0006-9000000000-11c20eba8c5ad41d806cView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positivesplash10-0006-9000000000-df7c7d6a6ae2d6bccefeView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positivesplash10-0006-9000000000-32477244247613182214View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positivesplash10-000f-9002000000-4873ce0cdcac54d68186View in MoNA
LC-MS/MSLC-MS/MS Spectrum - CE-ESI-TOF (CE-system connected to 6210 Time-of-Flight MS, Agilent) , Positivesplash10-0006-9000000000-8193842b36c819ca3ec6View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , negativesplash10-000i-9000000000-55d0139f513946f76461View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , negativesplash10-000i-9000000000-5b0dff13a98daf782205View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , negativesplash10-000i-9000000000-37db595fcf7364600bc9View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0006-9000000000-fefc31c264a2f0fcf6d0View in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0006-9000000000-ba42bcd60aa9182a780eView in MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0006-9000000000-df7c7d6a6ae2d6bccefeView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-9000000000-080ffbbf05d95b7bcfe6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-9000000000-0dfcc5cb0b7d9f01e04aView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-002f-9000000000-130c999fe6b63419cfa1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-9000000000-2ddc0bb04bae8f928a23View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-9000000000-98c403c9cd494594babfView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00di-9000000000-38a12affa4e4f4e91626View in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
2D NMR[1H,1H] 2D NMR SpectrumNot AvailableView in JSpectraViewer
2D NMR[1H,13C] 2D NMR SpectrumNot AvailableView in JSpectraViewer
Biological Properties
Cellular Locations
  • Cytoplasm
  • Lysosome
  • Mitochondria
  • Peroxisome
Biospecimen Locations
  • All Tissues
  • Blood
  • Colostrum
  • Liver
  • Longissimus Thoracis Muscle
  • Mammary Gland
  • Milk
  • Muscle
  • Placenta
  • Prostate Tissue
  • Ruminal Fluid
  • Semen
  • Semimembranosus Muscle
  • Testis
  • Urine
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
All TissuesExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
BloodDetected and Quantified188.9 uMNot SpecifiedNot Specified
Normal
details
BloodDetected and Quantified1343 +/- 402 uMNot SpecifiedNot Specified
Normal
    • Abdullah BASOGLU,...
details
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
    • Jiyuan Li, Everes...
details
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
BloodDetected and Quantified162-179 uMNot SpecifiedNot Specified
Normal
details
BloodDetected and Quantified160.5 uMNot SpecifiedBothNormal details
BloodDetected and Quantified151-222 uMNot SpecifiedNot Specified
Normal
details
BloodDetected and Quantified162-212 uMNot SpecifiedNot Specified
Normal
details
BloodDetected and Quantified187-206 uMNot SpecifiedNot Specified
Normal
details
BloodDetected and Quantified240 +/- 30 uMNot SpecifiedNot Specified
Normal
    • Aidin Foroutan, C...
details
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
    • Trabi M, Keller M...
details
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
ColostrumDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
ColostrumDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
LiverDetected and Quantified2366-3515 nmol/g of tissueNot SpecifiedNot Specified
Normal
details
LiverDetected and Quantified1388 +/- 276 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • Aidin Foroutan, C...
details
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Longissimus Thoracis MuscleDetected and Quantified1465 +/- 272 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • Aidin Foroutan, C...
details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified29.20 +/- 5.91 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified29 - 78 uMNot SpecifiedNot SpecifiedNormal details
MilkDetected and Quantified9 - 91 uMNot SpecifiedNot SpecifiedNormal details
MilkDetected and Quantified13469.0414 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified13469.0414 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified13469.0414 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified13469.0414 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified12346.621 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified12346.621 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified12346.621 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified29 +/- 2 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified33 +/- 1 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified31 +/- 1 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified32 +/- 3 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified31 +/- 3 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified33 +/- 2 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified32 +/- 1 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified34 +/- 3 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified27.45 +/- 5.67 uMNot SpecifiedNot Specified
Normal
details
MilkDetected and Quantified23.82 +/- 5.36 uMNot SpecifiedNot Specified
Normal
details
MilkDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
MilkDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
MilkDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
MilkDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
MilkDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
MilkDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
MuscleDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
MuscleDetected and Quantified1087.79 +/- 32.71 uMNot SpecifiedNot Specified
Normal
details
MuscleDetected and Quantified1147.17 +/- 64.08 uMNot SpecifiedNot Specified
Normal
details
MuscleDetected and Quantified1163.71 +/- 86.55 uMNot SpecifiedNot Specified
Normal
details
MuscleDetected and Quantified1237.91 +/- 72.51 uMNot SpecifiedNot Specified
Normal
details
MuscleDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
MuscleDetected and Quantified1055-1310 nmol/g of tissueNot SpecifiedNot Specified
Normal
details
MuscleDetected and Quantified22790 +/- 1780 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • S. F. Graham, T. ...
details
MuscleDetected and Quantified26340 +/- 2260 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • S. F. Graham, T. ...
details
MuscleDetected and Quantified16280 +/- 2200 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • S. F. Graham, T. ...
details
MuscleDetected and Quantified18950 +/- 1630 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • S. F. Graham, T. ...
details
MuscleDetected and Quantified2300 nmol/g of tissueNot SpecifiedNot Specified
Normal
details
MuscleDetected and Quantified167-239 nmol/g of tissueNot SpecifiedNot Specified
Normal
details
MuscleDetected and Quantified1916-3173 nmol/g of tissueNot SpecifiedNot Specified
Normal
details
PlacentaExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Prostate TissueExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal
  • Not Applicable
details
Ruminal FluidDetected and Quantified244 +/- 40 uMNot SpecifiedNot Specified
Normal
    • Fozia Saleem, Sou...
details
Ruminal FluidDetected and Quantified314 +/- 84 uMNot SpecifiedNot Specified
Normal
    • Fozia Saleem, Sou...
details
Ruminal FluidDetected and Quantified441 +/- 74 uMNot SpecifiedNot Specified
Normal
    • Fozia Saleem, Sou...
details
Ruminal FluidDetected and Quantified220 +/- 51 uMNot SpecifiedNot Specified
Normal
    • Fozia Saleem, Sou...
details
Ruminal FluidDetected and Quantified220 +/- 51 uMNot SpecifiedNot Specified
Normal
    • Fozia Saleem, Sou...
details
Ruminal FluidDetected and Quantified83-799 uMNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected and Quantified135-315 uMNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected and Quantified212 uMNot SpecifiedNot Specified
Normal
    • Burim NA, Qendrim...
details
Ruminal FluidDetected and Quantified397 uMNot SpecifiedNot Specified
Normal
    • Burim NA, Qendrim...
details
Ruminal FluidDetected and Quantified415 uMNot SpecifiedNot Specified
Normal
    • Burim NA, Qendrim...
details
Ruminal FluidDetected and Quantified197 uMNot SpecifiedNot Specified
Normal
    • Burim NA, Qendrim...
details
Ruminal FluidDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected and Quantified234.9 uMNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected and Quantified323.4 uMNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected and Quantified1060 +/- 484 uMNot SpecifiedNot Specified
Normal
    • Aidin Foroutan, C...
details
Ruminal FluidDetected and Quantified480.1 uMNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected and Quantified212.1 uMNot SpecifiedNot Specified
Normal
details
Ruminal FluidDetected and Quantified212.13 +/- 47.03 uMNot SpecifiedNot SpecifiedNormal
    • Fozia Saleem, Sou...
details
SemenDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
SemenDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Semimembranosus MuscleDetected and Quantified1472 +/- 278 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • Aidin Foroutan, C...
details
TestisDetected and Quantified880-1200 nmol/g of tissueNot SpecifiedNot Specified
Normal
details
TestisDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
TestisDetected and Quantified1400 +/- 294 nmol/g of tissueNot SpecifiedNot Specified
Normal
    • Aidin Foroutan, C...
details
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Treated with growth-promoting hormones
details
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Sub/clinical ketosis
details
BloodDetected and Quantified174.7 uMNot SpecifiedNot Specified
Bovine spongiform encephalopathy negative
details
BloodDetected and Quantified253.3 uMNot SpecifiedNot Specified
Bovine spongiform encephalopathy positive
details
BloodDetected and Quantified1149 +/- 192 uMNot SpecifiedNot Specified
Left displaced abomasum (LDA)
    • Abdullah BASOGLU,...
details
BloodDetected and Quantified903 +/- 238 uMNot SpecifiedNot Specified
Right displaced abomasum (RDA)
    • Abdullah BASOGLU,...
details
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
All Mycobacterium avium subsp. paratuberculosis-infected
details
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
High dose Mycobacterium avium subsp. paratuberculosis-infected
details
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Low dose Mycobacterium avium subsp. paratuberculosis-infected
details
ColostrumDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Commercial Product/bacterial growth on ground beef
details
MuscleDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Commercial Product/bacterial growth on ground beef
details
Ruminal FluidDetected and Quantified480.07 +/- 70.1 uMNot SpecifiedNot SpecifiedRumen acidosis
    • Fozia Saleem, Sou...
details
HMDB IDHMDB0000161
DrugBank IDDB00160
Phenol Explorer Compound IDNot Available
FooDB IDFDB000556
KNApSAcK IDC00001332
Chemspider ID5735
KEGG Compound IDC00041
BioCyc IDALPHA-ALANINE
BiGG ID33629
Wikipedia LinkAlanine
METLIN IDNot Available
PubChem Compound5950
PDB IDNot Available
ChEBI ID16977
References
Synthesis ReferenceChibata I; Kakimoto T; Kato J Enzymatic production of L-alanine by Pseudomonas dacunhae. Applied microbiology (1965), 13(5), 638-45.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. 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 ]
  2. Klein MS, Buttchereit N, Miemczyk SP, Immervoll AK, Louis C, Wiedemann S, Junge W, Thaller G, Oefner PJ, Gronwald W: NMR metabolomic analysis of dairy cows reveals milk glycerophosphocholine to phosphocholine ratio as prognostic biomarker for risk of ketosis. J Proteome Res. 2012 Feb 3;11(2):1373-81. doi: 10.1021/pr201017n. Epub 2011 Dec 9. [PubMed:22098372 ]
  3. 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 ]
  4. Sundekilde UK, Gustavsson F, Poulsen NA, Glantz M, Paulsson M, Larsen LB, Bertram HC: Association between the bovine milk metabolome and rennet-induced coagulation properties of milk. J Dairy Sci. 2014 Oct;97(10):6076-84. doi: 10.3168/jds.2014-8304. Epub 2014 Jul 30. [PubMed:25087032 ]
  5. Buitenhuis AJ, Sundekilde UK, Poulsen NA, Bertram HC, Larsen LB, Sorensen P: Estimation of genetic parameters and detection of quantitative trait loci for metabolites in Danish Holstein milk. J Dairy Sci. 2013 May;96(5):3285-95. doi: 10.3168/jds.2012-5914. Epub 2013 Mar 15. [PubMed:23497994 ]
  6. Scano P, Murgia A, Pirisi FM, Caboni P: A gas chromatography-mass spectrometry-based metabolomic approach for the characterization of goat milk compared with cow milk. J Dairy Sci. 2014 Oct;97(10):6057-66. doi: 10.3168/jds.2014-8247. Epub 2014 Aug 6. [PubMed:25108860 ]
  7. Lu J, Antunes Fernandes E, Paez Cano AE, Vinitwatanakhun J, Boeren S, van Hooijdonk T, van Knegsel A, Vervoort J, Hettinga KA: Changes in milk proteome and metabolome associated with dry period length, energy balance, and lactation stage in postparturient dairy cows. J Proteome Res. 2013 Jul 5;12(7):3288-96. doi: 10.1021/pr4001306. Epub 2013 Jun 5. [PubMed:23738862 ]
  8. Sun HZ, Wang DM, Wang B, Wang JK, Liu HY, Guan le L, Liu JX: Metabolomics of four biofluids from dairy cows: potential biomarkers for milk production and quality. J Proteome Res. 2015 Feb 6;14(2):1287-98. doi: 10.1021/pr501305g. Epub 2015 Jan 28. [PubMed:25599412 ]
  9. 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 ]
  10. 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 ]
  11. 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 ]
  12. 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.
  13. Fooddata+, The Technical University of Denmark (DTU) [Link]

Enzymes

General function:
Amino acid transport and metabolism
Specific function:
Catalyzes the decomposition of L-selenocysteine to L-alanine and elemental selenium.
Gene Name:
SCLY
Uniprot ID:
A2VDS1
Molecular weight:
47204.0
Reactions
Selenocysteine → L-Alanine + Hydrogen selenidedetails
General function:
Amino acid transport and metabolism
Specific function:
Can metabolize asymmetric dimethylarginine (ADMA) via transamination to alpha-keto-delta-(NN-dimethylguanidino) valeric acid (DMGV). ADMA is a potent inhibitor of nitric-oxide (NO) synthase, and this activity provides mechanism through which the kidney regulates blood pressure (By similarity).
Gene Name:
AGXT2
Uniprot ID:
Q17QF0
Molecular weight:
57226.0
General function:
Amino acid transport and metabolism
Specific function:
Catalyzes the reversible transamination between alanine and 2-oxoglutarate to form pyruvate and glutamate. Participates in cellular nitrogen metabolism and also in liver gluconeogenesis starting with precursors transported from skeletal muscles (By similarity).
Gene Name:
GPT
Uniprot ID:
A4IFH5
Molecular weight:
55275.0
General function:
Involved in DNA binding
Specific function:
Inhibitor subunit of the major nuclear protein phosphatase-1 (PP-1). It has RNA-binding activity but does not cleave RNA and may target PP-1 to RNA-associated substrates. May also be involved in pre-mRNA splicing. Binds DNA and might act as a transcriptional repressor. Seems to be required for cell proliferation.
Gene Name:
PPP1R8
Uniprot ID:
Q28147
Molecular weight:
38521.0
General function:
Involved in acyltransferase activity
Specific function:
Catalyzes the formation of 5-oxoproline from gamma-glutamyl dipeptides and may play a significant role in glutathione homeostasis. Induces release of cytochrome c from mitochondria with resultant induction of apoptosis.
Gene Name:
GGCT
Uniprot ID:
Q32LE4
Molecular weight:
21177.0
Reactions
5-L-Glutamyl-L-alanine → Pyroglutamic acid + L-Alaninedetails
General function:
Amino acid transport and metabolism
Specific function:
Not Available
Gene Name:
AGXT
Uniprot ID:
A7MBF1
Molecular weight:
45292.0
Reactions
L-Alanine + Glyoxylic acid → Glycine + Pyruvic aciddetails
Pyruvic acid + L-Serine → Hydroxypyruvic acid + L-Alaninedetails
Glycine + Pyruvic acid → L-Alanine + Glyoxylic aciddetails
General function:
Translation, ribosomal structure and biogenesis
Specific function:
Catalyzes the attachment of alanine to tRNA(Ala) in a two-step reaction: alanine is first activated by ATP to form Ala-AMP and then transferred to the acceptor end of tRNA(Ala). Also edits incorrectly charged tRNA(Ala) via its editing domain.
Gene Name:
AARS1
Uniprot ID:
A6QLT9
Molecular weight:
106655.0
Reactions
Adenosine triphosphate + L-Alanine + tRNA(Ala) → Adenosine monophosphate + Pyrophosphate + L-Alanyl-tRNA(Ala)details
General function:
Amino acid transport and metabolism
Specific function:
Functions as a sodium-dependent amino acid transporter which countertransport protons. Mediates the saturable, pH-sensitive, and electrogenic cotransport of several neutral amino acids including glycine, asparagine, alanine, serine, glutamine and histidine with sodium (By similarity).
Gene Name:
SLC38A5
Uniprot ID:
Q5E9S9
Molecular weight:
51958.0
General function:
Not Available
Specific function:
Catalyzes the attachment of alanine to tRNA(Ala) in a two-step reaction: alanine is first activated by ATP to form Ala-AMP and then transferred to the acceptor end of tRNA(Ala). Also edits incorrectly charged tRNA(Ala) via its editing domain.
Gene Name:
AARS2
Uniprot ID:
F1MKA6
Molecular weight:
106520.0
Reactions
Adenosine triphosphate + L-Alanine + tRNA(Ala) → Adenosine monophosphate + Pyrophosphate + L-Alanyl-tRNA(Ala)details
General function:
Not Available
Specific function:
Cleaves glutathione conjugates.
Gene Name:
GGT6
Uniprot ID:
A7YWM1
Molecular weight:
49626.0
Reactions
Glutathione + L-Alanine → 5-L-Glutamyl-L-alanine + Cysteinylglycinedetails
General function:
Not Available
Specific function:
Catalyzes the cleavage of L-kynurenine (L-Kyn) and L-3-hydroxykynurenine (L-3OHKyn) into anthranilic acid (AA) and 3-hydroxyanthranilic acid (3-OHAA), respectively. Has a preference for the L-3-hydroxy form. Also has cysteine-conjugate-beta-lyase activity.
Gene Name:
KYNU
Uniprot ID:
F1MCH2
Molecular weight:
52186.0
Reactions
N'-Formylkynurenine + Water → Formylanthranilic acid + L-Alaninedetails
L-Kynurenine + Water → 2-Aminobenzoic acid + L-Alaninedetails
L-3-Hydroxykynurenine + Water → 3-Hydroxyanthranilic acid + L-Alaninedetails