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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-11-15 21:04:27 UTC
HMDB IDHMDB0000123
Secondary Accession Numbers
  • HMDB00123
Metabolite Identification
Common NameGlycine
DescriptionGlycine (Gly), is an alpha-amino acid. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Amino acids are organic compounds that contain amino (-NH2) and carboxyl (-COOH) functional groups, along with a side chain (R group) specific to each amino acid. Glycine is one of 20 proteinogenic amino acids, i.e., the amino acids used in the biosynthesis of proteins. Glycine is found in all organisms ranging from bacteria to plants to animals. It is classified as an aliphatic, non-polar amino acid and is the simplest of all amino acids. In humans, glycine is a nonessential amino acid, although experimental animals show reduced growth on low-glycine diets. The average adult human ingests 3 to 5 grams of glycine daily. Glycine is a colorless, sweet-tasting crystalline solid. It is the only achiral proteinogenic amino acid. Glycine was discovered in 1820 by the French chemist Henri Braconnot when he hydrolyzed gelatin by boiling it with sulfuric acid. The name comes from the Greek word glucus or "sweet tasting". Glycine is biosynthesized in the body from the amino acid serine, which is in turn derived from 3-phosphoglycerate. In the liver of vertebrates, glycine synthesis is catalyzed by glycine synthase (also called glycine cleavage enzyme). In addition to being synthesized from serine, glycine can also be derived from threonine, choline or hydroxyproline via inter-organ metabolism of the liver and kidneys. Glycine is degraded via three pathways. The predominant pathway in animals and plants is the reverse of the glycine synthase pathway. In this context, the enzyme system involved glycine metabolism is called the glycine cleavage system. The glycine cleavage system catalyzes the oxidative conversion of glycine into carbon dioxide and ammonia, with the remaining one-carbon unit transferred to folate as methylenetetrahydrofolate. It is the main catabolic pathway for glycine and it also contributes to one-carbon metabolism. Patients with a deficiency of this enzyme system have increased glycine in plasma, urine, and cerebrospinal fluid (CSF) with an increased CSF:plasma glycine ratio (PMID: 16151895 ). Glycine levels are effectively measured in plasma in both normal patients and those with inborn errors of glycine metabolism (http://www.dcnutrition.com/AminoAcids/). Nonketotic hyperglycinaemia (OMIM: 606899 ) is an autosomal recessive condition caused by deficient enzyme activity of the glycine cleavage enzyme system (EC 2.1.1.10). The glycine cleavage enzyme system comprises four proteins: P-, T-, H- and L-proteins (EC 1.4.4.2, EC 2.1.2.10, and EC 1.8.1.4 for P-, T-, and L-proteins). Mutations have been described in the GLDC (OMIM: 238300 ), AMT (OMIM: 238310 ), and GCSH (OMIM: 238330 ) genes encoding the P-, T-, and H-proteins respectively. Glycine is involved in the body's production of DNA, hemoglobin, and collagen, and in the release of energy. The principal function of glycine is as a precursor to proteins. Most proteins incorporate only small quantities of glycine, a notable exception being collagen, which contains about 35% glycine. In higher eukaryotes, delta-aminolevulinic acid, the key precursor to porphyrins (needed for hemoglobin and cytochromes), is biosynthesized from glycine and succinyl-CoA by the enzyme ALA synthase. Glycine provides the central C2N subunit of all purines, which are key constituents of DNA and RNA. Glycine is an inhibitory neurotransmitter in the central nervous system, especially in the spinal cord, brainstem, and retina. When glycine receptors are activated, chloride enters the neuron via ionotropic receptors, causing an inhibitory postsynaptic potential (IPSP).
Structure
Data?1601221918
Synonyms
ValueSource
Aminoacetic acidChEBI
AminoessigsaeureChEBI
Aminoethanoic acidChEBI
GChEBI
GlyChEBI
GlycinChEBI
GlycocollChEBI
GlykokollChEBI
GlyzinChEBI
H2N-CH2-COOHChEBI
HglyChEBI
LeimzuckerChEBI
AminoacetateGenerator
AminoethanoateGenerator
2-AminoacetateHMDB
2-Aminoacetic acidHMDB
AciportHMDB
Amino-acetateHMDB
Amino-acetic acidHMDB
GlicoaminHMDB
GlycolixirHMDB
GlycostheneHMDB
Gyn-hydralinHMDB
PadilHMDB
Glycine carbonate (1:1), monosodium saltHMDB
Glycine carbonate (2:1), monopotassium saltHMDB
Glycine sulfate (3:1)HMDB
Glycine, monoammonium saltHMDB
Glycine, monosodium saltHMDB
Glycine, sodium hydrogen carbonateHMDB
Monoammonium salt glycineHMDB
Calcium salt glycineHMDB
Glycine hydrochloride (2:1)HMDB
Glycine phosphate (1:1)HMDB
Glycine, monopotasssium saltHMDB
Monopotasssium salt glycineHMDB
Monosodium salt glycineHMDB
Glycine carbonate (2:1), monolithium saltHMDB
Glycine carbonate (2:1), monosodium saltHMDB
Glycine hydrochlorideHMDB
Glycine, copper saltHMDB
Hydrochloride, glycineHMDB
Salt glycine, monoammoniumHMDB
Acid, aminoaceticHMDB
Cobalt salt glycineHMDB
Copper salt glycineHMDB
Glycine phosphateHMDB
Glycine, calcium saltHMDB
Glycine, calcium salt (2:1)HMDB
Glycine, cobalt saltHMDB
Phosphate, glycineHMDB
Salt glycine, monosodiumHMDB
Chemical FormulaC2H5NO2
Average Molecular Weight75.0666
Monoisotopic Molecular Weight75.032028409
IUPAC Name2-aminoacetic acid
Traditional Nameglycine
CAS Registry Number56-40-6
SMILES
NCC(O)=O
InChI Identifier
InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
InChI KeyDHMQDGOQFOQNFH-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Amino acid
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Primary amine
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Primary aliphatic amine
  • Organic oxygen compound
  • Carbonyl group
  • Amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Source

Process

Naturally occurring process

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point262.2 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility249 mg/mLNot Available
LogP-3.21HANSCH,C ET AL. (1995)
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility552 g/LALOGPS
logP-3.3ALOGPS
logP-3.4ChemAxon
logS0.87ALOGPS
pKa (Strongest Acidic)2.31ChemAxon
pKa (Strongest Basic)9.24ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity16 m³·mol⁻¹ChemAxon
Polarizability6.65 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+112.30931661259
DarkChem[M+H]+112.30931661259
DarkChem[M-H]-105.23531661259
DarkChem[M-H]-105.23531661259
AllCCS[M+H]+122.92532859911
AllCCS[M-H]-126.82432859911
DeepCCS[M+H]+128.06230932474
DeepCCS[M-H]-125.38630932474
DeepCCS[M-2H]-161.85930932474
DeepCCS[M+Na]+136.26530932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
GlycineNCC(O)=O1555.8Standard polar33892256
GlycineNCC(O)=O880.8Standard non polar33892256
GlycineNCC(O)=O1169.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Glycine,1TMS,isomer #1C[Si](C)(C)OC(=O)CN912.5Semi standard non polar33892256
Glycine,1TMS,isomer #2C[Si](C)(C)NCC(=O)O1071.0Semi standard non polar33892256
Glycine,2TMS,isomer #1C[Si](C)(C)NCC(=O)O[Si](C)(C)C1119.3Semi standard non polar33892256
Glycine,2TMS,isomer #1C[Si](C)(C)NCC(=O)O[Si](C)(C)C1149.5Standard non polar33892256
Glycine,2TMS,isomer #1C[Si](C)(C)NCC(=O)O[Si](C)(C)C1235.2Standard polar33892256
Glycine,2TMS,isomer #2C[Si](C)(C)N(CC(=O)O)[Si](C)(C)C1298.3Semi standard non polar33892256
Glycine,2TMS,isomer #2C[Si](C)(C)N(CC(=O)O)[Si](C)(C)C1187.7Standard non polar33892256
Glycine,2TMS,isomer #2C[Si](C)(C)N(CC(=O)O)[Si](C)(C)C1385.6Standard polar33892256
Glycine,3TMS,isomer #1C[Si](C)(C)OC(=O)CN([Si](C)(C)C)[Si](C)(C)C1339.3Semi standard non polar33892256
Glycine,3TMS,isomer #1C[Si](C)(C)OC(=O)CN([Si](C)(C)C)[Si](C)(C)C1274.2Standard non polar33892256
Glycine,3TMS,isomer #1C[Si](C)(C)OC(=O)CN([Si](C)(C)C)[Si](C)(C)C1254.9Standard polar33892256
Glycine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CN1148.8Semi standard non polar33892256
Glycine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCC(=O)O1325.3Semi standard non polar33892256
Glycine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)O[Si](C)(C)C(C)(C)C1543.2Semi standard non polar33892256
Glycine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)O[Si](C)(C)C(C)(C)C1543.8Standard non polar33892256
Glycine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCC(=O)O[Si](C)(C)C(C)(C)C1520.5Standard polar33892256
Glycine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CC(=O)O)[Si](C)(C)C(C)(C)C1694.0Semi standard non polar33892256
Glycine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CC(=O)O)[Si](C)(C)C(C)(C)C1610.9Standard non polar33892256
Glycine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CC(=O)O)[Si](C)(C)C(C)(C)C1590.1Standard polar33892256
Glycine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1940.8Semi standard non polar33892256
Glycine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1910.9Standard non polar33892256
Glycine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)CN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1668.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Glycine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00dj-2900000000-0ef96bcf06ce475afcdd2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-00dj-1900000000-1d289099ac79cfb8bb192014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS)splash10-00di-7910000000-6c972a683dfb75b693312014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-MS (2 TMS)splash10-0udi-0900000000-ef69e38ee6cebc2ece002014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-MS (3 TMS)splash10-00di-2910000000-3215b9e40f20c7b306cd2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine EI-B (Non-derivatized)splash10-001i-9000000000-719b7f248956f13a312d2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine EI-B (Non-derivatized)splash10-0udi-0900000000-99b4fc43740b21edc7862017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine EI-B (Non-derivatized)splash10-00di-1910000000-4cff4d14c73acff9442f2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-EI-TOF (Non-derivatized)splash10-00dj-2900000000-0ef96bcf06ce475afcdd2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-EI-TOF (Non-derivatized)splash10-00dj-1900000000-1d289099ac79cfb8bb192017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-EI-QQ (Non-derivatized)splash10-0002-4960000000-2c6fa028e985c60198542017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-EI-TOF (Non-derivatized)splash10-00di-7910000000-6c972a683dfb75b693312017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-MS (Non-derivatized)splash10-00di-2910000000-3215b9e40f20c7b306cd2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-MS (Non-derivatized)splash10-0udi-0900000000-ef69e38ee6cebc2ece002017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-EI-TOF (Non-derivatized)splash10-00ds-2900000000-ffffed9c78c16a884e4a2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-EI-TOF (Non-derivatized)splash10-004r-3900000000-f288b50b7b68904298112017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Glycine GC-EI-TOF (Non-derivatized)splash10-0udi-1900000000-c76140c31c1f120e4b9d2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001i-9000000000-f0a2cfbefb9fcd9b6c3e2016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycine GC-MS (1 TMS) - 70eV, Positivesplash10-00di-9300000000-b8bbfc1276d5adb1ba042017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Glycine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-001i-9000000000-222d6c3a1ba6afcd7ea92014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-003r-9000000000-725357e461c898a7451e2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-001i-9000000000-9f3930e66b117ad91dca2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-001i-9000000000-b3336097dddbb5e228712012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine EI-B (HITACHI RMU-6M) , Positive-QTOFsplash10-001i-9000000000-719b7f248956f13a312d2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOFsplash10-00di-9000000000-6001578fc511ba3fefef2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOFsplash10-00di-9000000000-79b2a0a9d93de6a623582012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOFsplash10-00di-9000000000-9290dbe208c4744f44312012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-004i-9000000000-342ab462db0835abb3d22012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-0ar1-9010000000-9daadc1d169a8530926d2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-07y0-9220000000-8c7785f1f3aa8052679f2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-0ula-9110000000-43ada06fe1b56b4e9fcc2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-017i-9000000000-fbd78fbb48f082235f422012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine CE-ESI-TOF (CE-system connected to 6210 Time-of-Flight MS, Agilent) , Positive-QTOFsplash10-004i-9000000000-c38d0fb28793438083a92012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine DI-ESI-Q-Exactive Plus , Positive-QTOFsplash10-004i-9000000000-18a7ae48c7b0e15cdf182017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ , negative-QTOFsplash10-00di-9000000000-6001578fc511ba3fefef2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ , negative-QTOFsplash10-00di-9000000000-79b2a0a9d93de6a623582017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ , negative-QTOFsplash10-00di-9000000000-9290dbe208c4744f44312017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine , negative-QTOFsplash10-00di-9000000000-605b44ac311a9af4bb7a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Glycine LC-ESI-QQ , positive-QTOFsplash10-004i-9000000000-342ab462db0835abb3d22017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycine 10V, Positive-QTOFsplash10-0059-9000000000-c6b1ebc1dba89b6a61842015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycine 20V, Positive-QTOFsplash10-001i-9000000000-851aa6a0263541a8b2492015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycine 40V, Positive-QTOFsplash10-053r-9000000000-d3b5624412082bb2cf602015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycine 10V, Negative-QTOFsplash10-00di-9000000000-89b2c043a5afe3ebc6f62015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycine 20V, Negative-QTOFsplash10-00di-9000000000-b4046e208ee8adb870212015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Glycine 40V, Negative-QTOFsplash10-05fr-9000000000-36521e440c602bd2ca5a2015-04-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Mitochondria
  • Lysosome
  • Peroxisome
Biospecimen Locations
  • Bile
  • Blood
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Sweat
  • Urine
Tissue Locations
  • Bladder
  • Brain
  • Epidermis
  • Fibroblasts
  • Intestine
  • Kidney
  • Neuron
  • Pancreas
  • Placenta
  • Platelet
  • Prostate
  • Spleen
  • Thyroid Gland
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BileDetected and Quantified>10 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified242.0 +/- 44.0 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified258.0 +/- 64.0 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified106-272 uMNewborn (0-30 days old)Both
Normal
    • BC Children's Hos...
details
BloodDetected and Quantified150-350 uMInfant (1 - 3 months old)Both
Normal
    • BC Children's Hos...
details
BloodDetected and Quantified125-400 uMChildren (3 months - 6 years old)Both
Normal
    • BC Children's Hos...
details
BloodDetected and Quantified140-490 uMChildren (6 - 18 years old)Both
Normal
    • BC Children's Hos...
details
BloodDetected and Quantified329.9 +/- 105.6 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified147-321 uMNot SpecifiedNot SpecifiedNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
BloodDetected and Quantified149-301 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected and Quantified184-356 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified140-420 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected and Quantified200-600 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified80-341 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified100-320 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified126-384 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified280.0 (140.0-420.0) uMNewborn (0-30 days old)BothNormal details
BloodDetected and Quantified<300 uMChildren (1 - 13 years old)MaleNormal details
BloodDetected and Quantified100 - 310 uMChildren (1 - 13 years old)Not SpecifiedNormal details
BloodDetected and Quantified120-320 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified213 +/- 35 uMInfant (0-1 year old)BothNormal details
BloodDetected and Quantified56-308 uMInfant (0-1 year old)BothNormal details
BloodDetected and Quantified60-310 uMChildren (1-13 years old)BothNormal details
BloodDetected and Quantified180-709 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified212.4 +/- 57.4 uMAdult (>18 years old)MaleNormal details
BloodDetected and Quantified150.0-440.0 uMAdult (>18 years old)Both
Normal
details
BloodDetected and Quantified220 +/- 33 uMChildren (1 - 13 years old)BothNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified300 +/- 114 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified255.4 +/- 65.9 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified306.63 uMChildren (1-13 years old)Not SpecifiedNormal details
BloodDetected and Quantified236 +/- 43 uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified304.4(255.1-362.8) uMChildren (1-13 uears old)Both
Normal
details
BloodDetected and Quantified230.0 (178.0-282.0) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified325.4 +/- 126.8 uMAdult (>18 years old)BothNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
BloodDetected and Quantified460.0 +/- 275.0 uMNewborn (0-30 days old)Not SpecifiedNormal
    • Geigy Scientific ...
details
BloodDetected and Quantified234.0 +/- 34.0 uMChildren (1-13 years old)MaleNormal
    • Geigy Scientific ...
details
Cerebrospinal Fluid (CSF)Detected and Quantified7011 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified13-Feb uMNot SpecifiedNot SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified<10 uMNewborn (0-30 days old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified1-16 uMChildren (1-13 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified7-15 uMNot SpecifiedNot SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified3-10 uMInfant (0-1 year old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified3-10 uMNewborn (0-30 days old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified3.6-9 uMInfant (0-1 year old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified3-7 uMChildren (1-13 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified4.7 +/- 1.5 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
Cerebrospinal Fluid (CSF)Detected and Quantified4-14 uMNewborn (0-30 days old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified23.0-39.5 uMChildren (1-13 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified5.9-8.5 uMNewborn (0-30 days old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified9.0 (3.0-19.0) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified9.5 +/- 4.7 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified8.2 +/- 3.0 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified6.1 +/- 1.4 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified4.63 +/- 0.74 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified1-10 uMChildren (0 - 10 years old)Both
Normal
    • BC Children's Hos...
details
Cerebrospinal Fluid (CSF)Detected and Quantified1-10 uMAdolescent (>11 years old)Both
Normal
    • BC Children's Hos...
details
Cerebrospinal Fluid (CSF)Detected and Quantified8.30 (5.88-10.7) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified11 +/- 4  uMNot SpecifiedNot SpecifiedNormal details
FecesDetected but not QuantifiedNot QuantifiedInfant (0-1 year old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedBoth
Normal
details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not Specified
Normal
details
FecesDetected and Quantified400 +/- 290 nmol/g wet fecesAdult (>18 years old)Both
Normal
details
FecesDetected and Quantified150 +/- 170 nmol/g wet fecesAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleNormal details
SalivaDetected and Quantified17 (1-122) uMAdult (>18 years old)Male
Normal
details
SalivaDetected and Quantified27 (5-447) uMAdult (>18 years old)Male
Normal
details
SalivaDetected and Quantified28 (5-130) uMAdult (>18 years old)Male
Normal
details
SalivaDetected and Quantified17 (3-132) uMAdult (>18 years old)Female
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
SalivaDetected and Quantified92.0 +/- 83.7 uMAdult (>18 years old)Male
Normal
    • Sugimoto et al. (...
details
SalivaDetected and Quantified18.6 +/- 16.4 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
details
SalivaDetected and Quantified1-472 uMAdult (>18 years old)Male
normal
details
SalivaDetected and Quantified1-94 uMAdult (>18 years old)Male
normal
details
SalivaDetected and Quantified39.2 +/- 9.3 uMAdult (>18 years old)Male
Normal
details
SalivaDetected and Quantified31.0 +/- 14.7 uMAdult (>18 years old)Male
Normal
details
SalivaDetected and Quantified23.2 +/- 11.6 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
details
SalivaDetected and Quantified177.80 +/- 143.20 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
details
SalivaDetected and Quantified27.7 +/- 25.9 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
details
SalivaDetected and Quantified41.0 +/- 18.0 uMAdult (>18 years old)Male
Normal
details
SalivaDetected and Quantified46.7 +/- 18.1 uMAdult (>18 years old)Male
Normal
details
SalivaDetected and Quantified187.75 +/- 120.02 uMAdult (>18 years old)FemaleNormal details
SalivaDetected and Quantified>10 uMAdult (>18 years old)BothNormal details
SweatDetected and Quantified< 10 uMAdult (60 years old)Male
Normal
details
SweatDetected and Quantified320 uMAdult (40 years old)Male
Normal
details
SweatDetected but not QuantifiedNot QuantifiedAdult BothNormal details
UrineDetected and Quantified75.7 +/- 51.7 umol/mmol creatinineAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified165.0 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified151(48-233) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified97.8 +/- 79 umol/mmol creatinineNewborn (0-30 days old)Both
Normal
details
UrineDetected and Quantified35.75-480.64 umol/mmol creatinineAdolescent (13-18 years old)Not SpecifiedNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified119.95-599.74 umol/mmol creatinineAdult (>18 years old)BothNormal
    • David F. Putnam C...
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified151.0 (233-248) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified35-95 umol/mmol creatinineAdult (>18 years old)FemaleNormal details
UrineDetected and Quantified513.54 +/- 360.61 umol/mmol creatinineInfant (0-1 year old)BothNormal details
UrineDetected and Quantified25.90-338.11 umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal details
UrineDetected and Quantified<300 umol/mmol creatinineChildren (1 - 13 years old)MaleNormal details
UrineDetected and Quantified<525 umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified0-198 umol/mmol creatinineAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified0-379 umol/mmol creatinineInfant (0-1 year old)Both
Normal
details
UrineDetected and Quantified254.24-2341.24 umol/mmol creatinineInfant (0-1 year old)BothNormal details
UrineDetected and Quantified43-173 umol/mmol creatinineAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified60-190 umol/mmol creatinineAdult (>18 years old)BothNormal