ChemSpider 2D Image | Glycine | C2H5NO2

Glycine

  • Molecular FormulaC2H5NO2
  • Average mass75.067 Da
  • Monoisotopic mass75.032028 Da
  • ChemSpider ID730

More details:



Featured data source



Validated by Experts, Validated by Users, Non-Validated, Removed by Users

200-272-2 [EINECS]
2-Aminoacetic acid [ACD/IUPAC Name]
56-40-6 [RN]
Acetic acid, amino-
Acide aminoacetique [French] [INN]
Acido aminoacetico [Spanish] [INN]
amino-Acetic acid
Aminoacetic acid
Aminoessigsäure [German]
Aminoethanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3287 [DBID]
CHEBI:57305 [DBID]
MB7600000 [DBID]
MFCD00008131 [DBID]
TE7660XO1C [DBID]
UNII-TE7660XO1C [DBID]
15527_RIEDEL [DBID]
33226_RIEDEL [DBID]
410225_SIAL [DBID]
50046_FLUKA [DBID]
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  • Experimental Physico-chemical Properties
  • Predicted Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      Not Available Novochemy [NC-30274]
      White crystalline powder; odourless Food and Agriculture Organization of the United Nations Glycine
      white powder OU Chemical Safety Data (No longer updated) More details
    • Stability:

      Stable. Combustible. Incompatible with strong oxidizing agents. OU Chemical Safety Data (No longer updated) More details
    • Toxicity:

      Organic Compound; Amine; Drug; Food Toxin; Dietary Supplement; Micronutrient; Metabolite; Nutraceutical; Household Toxin; Animal Toxin; Natural Compound; Supplement; Non-Essential Amino Acid; Glycine Agent Toxin, Toxin-Target Database T3D4318
      ORL-RAT LD50 7930 mg kg-1, SCU-RAT LD50 5200 mg kg-1, IVN-RAT LD50 2600 mg kg-1, ORL-MUS LD50 4920 mg kg-1 OU Chemical Safety Data (No longer updated) More details
    • Safety:

      20/21/22 Novochemy [NC-30274]
      20/21/36/37/39 Novochemy [NC-30274]
      B05CX03 Wikidata Q620730
      CAUTION: May be harmful if swallowed Alfa Aesar 36435, 43497
      CAUTION: May irritate eyes, skin, and respiratory tract Alfa Aesar 36435, A13816
      GHS07; GHS09 Novochemy [NC-30274]
      H304; H403 Novochemy [NC-30274]
      Minimize contact. OU Chemical Safety Data (No longer updated) More details
      P261; P262 Biosynth Q-201300
      P305+P351+P338; P376; P270 Novochemy [NC-30274]
      R22 Novochemy [NC-30274]
      Warning Novochemy [NC-30274]
      WARNING: Irreversible damage risk, protect skin/eyes/lungs. Alfa Aesar A13816
    • Chemical Class:

      An <locant>alpha</locant>-amino-acid radical derived from glycine. ChEBI CHEBI:15428, CHEBI:32721, CHEBI:57305
      An alpha-amino-acid radical derived from glycine. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:32721
      An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of glycine. ChEBI CHEBI:15428, CHEBI:32721, CHEBI:57305, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:57305
      Non-phenolic metabolites Phenol-Explorer 1062
      The simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. ChEBI CHEBI:15428, CHEBI:32721, CHEBI:57305, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15428
    • Compound Source:

      2 S-adenosyl-L-methionine + glycine -> 2 S-adenosyl-L-homocysteine + N,N-dimethylglycine + 2 H+ PlantCyc GLY
      3 S-adenosyl-L-methionine + glycine -> 3 S-adenosyl-L-homocysteine + glycine betaine + 3 H+ PlantCyc GLY
      5-aminoimidazole ribonucleotide biosynthesis I PlantCyc GLY
      5-aminoimidazole ribonucleotide biosynthesis II PlantCyc GLY
      Aegilops tauschii PlantCyc GLY
      alliin metabolism PlantCyc GLY
      Amaranthus hypochondriacus PlantCyc GLY
      Amborella trichopoda PlantCyc GLY
      Anacardium occidentale PlantCyc GLY
      Ananas comosus PlantCyc GLY
      Aquilegia coerulea PlantCyc GLY
      Arabidopsis halleri PlantCyc GLY
      Arabidopsis lyrata PlantCyc GLY
      Arabidopsis thaliana col PlantCyc GLY
      Asparagus officinalis PlantCyc GLY
      Beta vulgaris subsp. vulgaris PlantCyc GLY
      Boechera stricta PlantCyc GLY
      Brachypodium distachyon PlantCyc GLY
      Brassica napus PlantCyc GLY
      Brassica oleracea var. capitata PlantCyc GLY
      Brassica oleracea var. oleracea PlantCyc GLY
      Brassica rapa FPsc PlantCyc GLY
      Brassica rapa subsp. pekinensis PlantCyc GLY
      Calotropis gigantea PlantCyc GLY
      camalexin biosynthesis PlantCyc GLY
      Camptotheca acuminata PlantCyc GLY
      Cannabis sativa PlantCyc GLY
      Capsella grandiflora PlantCyc GLY
      Capsella rubella PlantCyc GLY
      Capsicum annuum PlantCyc GLY
      Carica papaya PlantCyc GLY
      Catharanthus roseus PlantCyc GLY
      Chenopodium quinoa PlantCyc GLY
      Chlamydomonas reinhardtii PlantCyc GLY
      Chromochloris zofingiensis PlantCyc GLY
      Cicer arietinum PlantCyc GLY
      Citrus clementina PlantCyc GLY
      Citrus sinensis PlantCyc GLY
      Coccomyxa subellipsoidea C-169 PlantCyc GLY
      Corchorus capsularis PlantCyc GLY
      Cucumis sativus PlantCyc GLY
      Daucus carota subsp. sativus PlantCyc GLY
      Dianthus caryophyllus PlantCyc GLY
      Dioscorea rotundata PlantCyc GLY
      Eucalyptus grandis PlantCyc GLY
      Eutrema salsugineum PlantCyc GLY
      folate polyglutamylation PlantCyc GLY
      folate transformations II PlantCyc GLY
      Fragaria vesca subsp. vesca PlantCyc GLY
      gamma-glutamyl cycle PlantCyc GLY
      gamma-glutamyl cycle (plant pathway) PlantCyc GLY
      glutathione biosynthesis PlantCyc GLY
      glutathione degradation PlantCyc GLY
      glutathione-mediated detoxification II PlantCyc GLY
      glycine + a tetrahydrofolate + NAD+ -> a 5,10-methylene-tetrahydrofolate + ammonium + CO2 + NADH PlantCyc GLY
      glycine biosynthesis PlantCyc GLY
      glycine biosynthesis I PlantCyc GLY
      glycine biosynthesis III PlantCyc GLY
      glycine cleavage PlantCyc GLY
      Glycine max PlantCyc GLY
      Gossypium raimondii PlantCyc GLY
      Helianthus annuus PlantCyc GLY
      homophytochelatin biosynthesis PlantCyc GLY
      Hordeum vulgare subsp. vulgare PlantCyc GLY
      Humulus lupulus var. lupulus PlantCyc GLY
      indole glucosinolate activation (intact plant cell) PlantCyc GLY
      Kalanchoe fedtschenkoi PlantCyc GLY
      Kalanchoe laxiflora PlantCyc GLY
      L-carnitine biosynthesis PlantCyc GLY
      Leersia perrieri PlantCyc GLY
      Linum usitatissimum PlantCyc GLY
      Lotus japonicus PlantCyc GLY
      Malus domestica PlantCyc GLY
      Manihot esculenta PlantCyc GLY
      Marchantia polymorpha PlantCyc GLY
      Medicago truncatula PlantCyc GLY
      methiin metabolism PlantCyc GLY
      Micromonas commoda RCC299 PlantCyc GLY
      Micromonas pusilla CCMP1545 PlantCyc GLY
      Mimulus guttatus PlantCyc GLY
      Miscanthus sinensis PlantCyc GLY
      Musa acuminata PlantCyc GLY
      Nicotiana tabacum PlantCyc GLY
      Olea europaea var. sylvestris PlantCyc GLY
      Oropetium thomaeum PlantCyc GLY
      Oryza brachyantha PlantCyc GLY
      Oryza glaberrima PlantCyc GLY
      Oryza punctata PlantCyc GLY
      Oryza rufipogon PlantCyc GLY
      Oryza sativa Japonica Group PlantCyc GLY
      Ostreococcus lucimarinus PlantCyc GLY
      Panicum hallii PlantCyc GLY
      Panicum virgatum PlantCyc GLY
      Petunia axillaris PlantCyc GLY
      Phaseolus vulgaris PlantCyc GLY
      photorespiration PlantCyc GLY
      Physcomitrella patens PlantCyc GLY
      phytochelatins biosynthesis PlantCyc GLY
      Populus trichocarpa PlantCyc GLY
      propanethial S-oxide biosynthesis PlantCyc GLY
      Prunus persica PlantCyc GLY
      Ricinus communis PlantCyc GLY
      Rosa chinensis PlantCyc GLY
      Rosa multiflora PlantCyc GLY
      Salvia miltiorrhiza PlantCyc GLY
      Selaginella moellendorffii PlantCyc GLY
      Setaria italica PlantCyc GLY
      Setaria viridis PlantCyc GLY
      Solanum lycopersicum PlantCyc GLY
      Solanum melongena PlantCyc GLY
      Solanum pennellii PlantCyc GLY
      Solanum tuberosum PlantCyc GLY
      Sorghum bicolor PlantCyc GLY
      Sphagnum fallax PlantCyc GLY
      Spinacia oleracea PlantCyc GLY
      Spirodela polyrhiza PlantCyc GLY
      tetrapyrrole biosynthesis II (from glycine) PlantCyc GLY
      Thellungiella parvula PlantCyc GLY
      Theobroma cacao PlantCyc GLY
      thiazole biosynthesis III (eukaryotes) PlantCyc GLY
      Trifolium pratense PlantCyc GLY
      Triticum aestivum PlantCyc GLY
      Triticum urartu PlantCyc GLY
      Vitis vinifera PlantCyc GLY
      Volvox carteri PlantCyc GLY
      Zea mays subsp. mays PlantCyc GLY
      Zostera marina PlantCyc GLY
    • Bio Activity:

      (L-cysteinylglycin-S-yl)(1H-indol-3-yl)acetonitrile + H2O -> 2-(cystein-S-yl)-2-(1H-indol-3-yl)-acetonitrile + glycine PlantCyc GLY
      [Glu(-Cys)]n-beta-Ala + glutathione -> [Glu(-Cys)](n+1)-beta-Ala + glycine PlantCyc GLY
      [Glu(-Cys)]n-Gly + glutathione -> [Glu(-Cys)](n+1)-Gly + glycine PlantCyc GLY
      [Glu-Cys]n-Gly + glutathione -> [Glu-Cys](n+1)-Gly + glycine PlantCyc GLY
      2-oxoglutarate + glycine <--> L-glutamate + glyoxylate PlantCyc GLY
      3-hydroxy-N6,N6,N6-trimethyl-L-lysine -> 4-trimethylammoniobutanal + glycine PlantCyc GLY
      4-methoxy-3-indolylmethylisothiocyanate-glutathione + 2 H2O -> 4-methoxy-3-indolylmethylamine + raphanusamate + L-glutamate + glycine PlantCyc GLY
      5-phospho-beta-D-ribosylamine + ATP + glycine -> ADP + N1-(5-phospho-beta-D-ribosyl)glycinamide + phosphate + H+ PlantCyc GLY
      a [Cys-Gly]-S-conjugate + H2O -> an L-cysteine-S-conjugate + glycine PlantCyc GLY
      a glutathione-toxin conjugate + H2O -> a [Glu-Cys]-S-conjugate + glycine PlantCyc GLY
      ATP + 5-phospho-beta-D-ribosylamine + glycine -> ADP + N1-(5-phospho-beta-D-ribosyl)glycinamide + phosphate + H+ PlantCyc GLY
      Biochemicals & small molecules/Antagonists & inhibitors Hello Bio HB0299
      Endogenous potentiator, co-transmitter Tocris Bioscience 0219, 219
      gamma-L-glutamyl-(S)-2-carboxypropyl-L-cysteinyl-glycine + H2O -> gamma-L-glutamyl-(S)-2-carboxypropyl-L-cysteine + glycine PlantCyc GLY
      gamma-L-glutamyl-(S)-allyl-L-cysteinyl-glycine + H2O -> gamma-L-glutamyl-(S)-allyl-L-cysteine + glycine PlantCyc GLY
      glu(-cys)(n)-gly + glutathione -> glu(-cys)(n+1)-gly + glycine PlantCyc GLY
      Glutamate (Ionotropic) Receptors Tocris Bioscience 219
      glutathione + homoglutathione -> gamma-Glu-Cys-gamma-Glu-Cys-beta-Ala + glycine PlantCyc GLY
      glycine + a [glycine-cleavage complex H protein] N6-lipoyl-L-lysine + H+ <--> a [glycine-cleavage complex H protein] N6-aminomethyldihydrolipoyl-L-lysine + CO2 PlantCyc GLY
      glycine + a [glycine-cleavage complex H protein] N6-lipoyl-L-lysine + H+ <--> CO2 + a [glycine-cleavage complex H protein] N6-aminomethyldihydrolipoyl-L-lysine PlantCyc GLY
      glycine + a [protein]-L-cysteine + NAD+ -> 2-carboxylate-4-methyl-5-beta-(ethyl adenosine 5-diphosphate) thiazole + nicotinamide + a [protein]-2-aminoprop-2-enoate + 3 H2O + 2 H+ PlantCyc GLY
      glycine + a tetrahydrofolate + NAD+ -> a 5,10-methylene-tetrahydrofolate + ammonium + CO2 + NADH PlantCyc GLY
      glycine + ATP + ATP + 5-phospho-beta-D-ribosylamine + glycine -> ADP + N1-(5-phospho-beta-D-ribosyl)glycinamide + phosphate + H+ PlantCyc GLY
      glycine + gamma-L-glutamyl-L-cysteine + ATP -> glutathione + ADP + phosphate + H+ PlantCyc GLY
      glycine + succinyl-CoA + H+ -> CO2 + 5-aminolevulinate + coenzyme A PlantCyc GLY
      glyoxylate + L-alanine <--> glycine + pyruvate PlantCyc GLY
      glyoxylate + L-serine <--> hydroxypyruvate + glycine PlantCyc GLY
      indol-3-ylmethylisothiocyanate-glutathione + 2 H2O -> 3-(aminomethyl)indole + raphanusamate + L-glutamate + glycine PlantCyc GLY
      Inhibitory neurotransmitter, NMDA receptor co-agonist Hello Bio HB0299
      Inhibitory neurotransmitter. Also acts as NMDA receptor co-agonist. Prevents Ca<sup>2+</sup>-independent receptor desensitization. Hello Bio HB0299
      Ion Channels Tocris Bioscience 219
      Ion channels/Ligand-gated ion channel/Ionotropic glutamate receptors/NMDA Hello Bio HB0299
      L-cysteinyl-glycine + H2O -> L-cysteine + glycine PlantCyc GLY
      Ligand-gated Ion Channels Tocris Bioscience 219
      L-serine + a tetrahydrofolate <--> glycine + a 5,10-methylene-tetrahydrofolate + H2O PlantCyc GLY
      L-threonine -> acetaldehyde + glycine PlantCyc GLY
      One of the major inhibitory neurotransmitters in the mammalian CNS, predominantly active in the spinal cord and brain stem. Also acts as a modulator of excitatory amino acid transmission mediated by N MDA receptors. Also available as part of the NMDA Receptor - Glycine Site Tocriset™. Tocris Bioscience 0219
      One of the major inhibitory neurotransmitters in the mammalian CNS, predominantly active in the spinal cord and brain stem. Also acts as a modulator of excitatory amino acid transmission mediated by NMDA receptors. Also available as part of the NMDA Receptor - Glycine Site Tocriset?. Tocris Bioscience 219
      S-adenosyl-L-methionine + glycine -> S-adenosyl-L-homocysteine + sarcosine + H+ PlantCyc GLY
      S-methylglutathione + H2O -> gamma-L-glutamyl-(S)-methyl-L-cysteine + glycine PlantCyc GLY
  • Gas Chromatography

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 240.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 52.6±6.0 kJ/mol
Flash Point: 99.5±22.6 °C
Index of Refraction: 1.461
Molar Refractivity: 16.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -3.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 6.5±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 59.9±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -3.41
    Log Kow (Exper. database match) =  -3.21
       Exper. Ref:  Hansch,C et al. (1995)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  375.67  (Adapted Stein & Brown method)
    Melting Pt (deg C):  246.17  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  8.19E-008  (Modified Grain method)
    MP  (exp database):  262 dec deg C
    Subcooled liquid VP: 3.22E-005 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  6.256e+005
       log Kow used: -3.21 (expkow database)
       no-melting pt equation used
     Water Sol (Exper. database match) =  2.49e+005 mg/L (25 deg C)
        Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  7.6956e+005 mg/L
    Wat Sol (Exper. database match) =  249000.00
       Exper. Ref:  YALKOWSKY,SH & DANNENFELSER,RM (1992)

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   1.12E-009  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  1.293E-014 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -3.21  (exp database)
  Log Kaw used:  -7.339  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.129
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.9383
   Biowin2 (Non-Linear Model)     :   0.9758
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.4223  (days-weeks  )
   Biowin4 (Primary Survey Model) :   4.1683  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7527
   Biowin6 (MITI Non-Linear Model):   0.8373
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  1.2261
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00429 Pa (3.22E-005 mm Hg)
  Log Koa (Koawin est  ): 4.129
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.000699 
       Octanol/air (Koa) model:  3.3E-009 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0246 
       Mackay model           :  0.0529 
       Octanol/air (Koa) model:  2.64E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  28.0347 E-12 cm3/molecule-sec
      Half-Life =     0.382 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     4.578 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.0388 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -3.21 (expkow database)

 Volatilization from Water:
    Henry LC:  1.12E-009 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 4.529E+005  hours   (1.887E+004 days)
    Half-Life from Model Lake : 4.941E+006  hours   (2.059E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0412          9.16         1000       
   Water     34.7            208          1000       
   Soil      65.2            416          1000       
   Sediment  0.06            1.87e+003    0          
     Persistence Time: 381 hr




                    

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