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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2012-09-11 17:36:33 UTC
Update Date2022-03-07 02:52:32 UTC
HMDB IDHMDB0030396
Secondary Accession Numbers
  • HMDB30396
Metabolite Identification
Common Name(±)-Tryptophan
Description(±)-Tryptophan, also known as HTRP or triptofano, belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring (±)-Tryptophan is found, on average, in the highest concentration within a few different foods, such as red bell peppers (Capsicum annuum), casein, and dried milk and in a lower concentration in parsleys (Petroselinum crispum), cocoa powder, and pak choys (Brassica rapa var. chinensis) (±)-Tryptophan has also been detected, but not quantified in, several different foods, such as other candy, sauce, cinnamons (Cinnamomum), nutmegs (Myristica fragrans), and sugar. This could make (±)-tryptophan a potential biomarker for the consumption of these foods (±)-Tryptophan is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on (±)-Tryptophan.
Structure
Data?1563861978
Synonyms
ValueSource
2-Amino-3-(1H-indol-3-yl)propanoic acidChEBI
alpha-Amino-beta-(3-indolyl)-propionic acidChEBI
alpha-Amino-beta-3-indolepropionic acidChEBI
beta-3-IndolylalanineChEBI
HTRPChEBI
TriptofanoChEBI
TrpChEBI
TryptophaneChEBI
WChEBI
2-Amino-3-(1H-indol-3-yl)propanoateGenerator
a-Amino-b-(3-indolyl)-propionateGenerator
a-Amino-b-(3-indolyl)-propionic acidGenerator
alpha-Amino-beta-(3-indolyl)-propionateGenerator
Α-amino-β-(3-indolyl)-propionateGenerator
Α-amino-β-(3-indolyl)-propionic acidGenerator
a-Amino-b-3-indolepropionateGenerator
a-Amino-b-3-indolepropionic acidGenerator
alpha-Amino-beta-3-indolepropionateGenerator
Α-amino-β-3-indolepropionateGenerator
Α-amino-β-3-indolepropionic acidGenerator
b-3-IndolylalanineGenerator
Β-3-indolylalanineGenerator
(+-)-TryptophanHMDB
(+/-)-2-amino-3-(3-indolyl)propionic acidHMDB
(+/-)-alpha-amino-3-indolepropionic acidHMDB
DL-2-amino-3-Indolepropionic acidHMDB
DL-3beta-IndolylalanineHMDB
DL-alpha-amino-3-Indolepropionic acidHMDB
DL-TryptophanHMDB
Racemic tryptophanHMDB
Chemical FormulaC11H12N2O2
Average Molecular Weight204.2252
Monoisotopic Molecular Weight204.089877638
IUPAC Name2-amino-3-(1H-indol-3-yl)propanoic acid
Traditional Nametryptophan(.)
CAS Registry Number54-12-6
SMILES
NC(CC1=CNC2=C1C=CC=C2)C(O)=O
InChI Identifier
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
InChI KeyQIVBCDIJIAJPQS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassIndolyl carboxylic acids and derivatives
Direct ParentIndolyl carboxylic acids and derivatives
Alternative Parents
Substituents
  • Indolyl carboxylic acid derivative
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • 3-alkylindole
  • Indole
  • Aralkylamine
  • Benzenoid
  • Substituted pyrrole
  • Heteroaromatic compound
  • Pyrrole
  • Amino acid or derivatives
  • Amino acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Amine
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Organopnictogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effect

Adverse health effect

Disposition

Biological location

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point293 °CNot Available
Boiling Point289.00 to 291.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility0.16 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP-1.05Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.36 g/LALOGPS
logP-1.1ALOGPS
logP-1.1ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)2.54ChemAxon
pKa (Strongest Basic)9.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area79.11 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity56.2 m³·mol⁻¹ChemAxon
Polarizability21.19 ųChemAxon
Number of Rings2ChemAxon
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]+146.33331661259
DarkChem[M-H]-145.10531661259
DeepCCS[M+H]+137.36230932474
DeepCCS[M-H]-134.44830932474
DeepCCS[M-2H]-170.82330932474
DeepCCS[M+Na]+146.36130932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(??)-TryptophanNC(CC1=CNC2=C1C=CC=C2)C(O)=O3488.2Standard polar33892256
(??)-TryptophanNC(CC1=CNC2=C1C=CC=C2)C(O)=O2011.7Standard non polar33892256
(??)-TryptophanNC(CC1=CNC2=C1C=CC=C2)C(O)=O2339.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(??)-Tryptophan,1TMS,isomer #1C[Si](C)(C)OC(=O)C(N)CC1=C[NH]C2=CC=CC=C122175.5Semi standard non polar33892256
(??)-Tryptophan,1TMS,isomer #2C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O2218.9Semi standard non polar33892256
(??)-Tryptophan,1TMS,isomer #3C[Si](C)(C)N1C=C(CC(N)C(=O)O)C2=CC=CC=C212244.6Semi standard non polar33892256
(±)-Tryptophan,2TMS,isomer #1C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C2175.4Semi standard non polar33892256
(±)-Tryptophan,2TMS,isomer #1C[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C2130.0Standard non polar33892256
(±)-Tryptophan,2TMS,isomer #2C[Si](C)(C)OC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C122213.0Semi standard non polar33892256
(±)-Tryptophan,2TMS,isomer #2C[Si](C)(C)OC(=O)C(N)CC1=CN([Si](C)(C)C)C2=CC=CC=C122172.0Standard non polar33892256
(±)-Tryptophan,2TMS,isomer #3C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C2390.5Semi standard non polar33892256
(±)-Tryptophan,2TMS,isomer #3C[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C2233.4Standard non polar33892256
(±)-Tryptophan,2TMS,isomer #4C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O2257.3Semi standard non polar33892256
(±)-Tryptophan,2TMS,isomer #4C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O2193.1Standard non polar33892256
(±)-Tryptophan,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C2384.3Semi standard non polar33892256
(±)-Tryptophan,3TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C2293.4Standard non polar33892256
(±)-Tryptophan,3TMS,isomer #2C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C2219.8Semi standard non polar33892256
(±)-Tryptophan,3TMS,isomer #2C[Si](C)(C)NC(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C2224.7Standard non polar33892256
(±)-Tryptophan,3TMS,isomer #3C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C2435.9Semi standard non polar33892256
(±)-Tryptophan,3TMS,isomer #3C[Si](C)(C)N(C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C2342.9Standard non polar33892256
(±)-Tryptophan,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C2452.2Semi standard non polar33892256
(±)-Tryptophan,4TMS,isomer #1C[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C)[Si](C)(C)C2369.1Standard non polar33892256
(??)-Tryptophan,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=C[NH]C2=CC=CC=C122460.4Semi standard non polar33892256
(??)-Tryptophan,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O2472.4Semi standard non polar33892256
(??)-Tryptophan,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C=C(CC(N)C(=O)O)C2=CC=CC=C212504.7Semi standard non polar33892256
(±)-Tryptophan,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C2675.5Semi standard non polar33892256
(±)-Tryptophan,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(CC1=C[NH]C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C2580.3Standard non polar33892256
(±)-Tryptophan,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C122686.2Semi standard non polar33892256
(±)-Tryptophan,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C122586.9Standard non polar33892256
(±)-Tryptophan,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C2880.6Semi standard non polar33892256
(±)-Tryptophan,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(CC1=C[NH]C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C2661.9Standard non polar33892256
(±)-Tryptophan,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O2724.1Semi standard non polar33892256
(±)-Tryptophan,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O2626.8Standard non polar33892256
(±)-Tryptophan,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3077.3Semi standard non polar33892256
(±)-Tryptophan,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=C[NH]C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2937.7Standard non polar33892256
(±)-Tryptophan,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C2849.8Semi standard non polar33892256
(±)-Tryptophan,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O[Si](C)(C)C(C)(C)C2859.5Standard non polar33892256
(±)-Tryptophan,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C3091.7Semi standard non polar33892256
(±)-Tryptophan,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O)[Si](C)(C)C(C)(C)C2936.2Standard non polar33892256
(±)-Tryptophan,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3270.9Semi standard non polar33892256
(±)-Tryptophan,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3140.1Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - (±)-Tryptophan GC-MS (2 TMS)splash10-00lr-1940000000-7d24b93f0df6ee59c1cf2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - (±)-Tryptophan GC-MS (2 TMS)splash10-0udi-0290000000-1a8228e2b523be1ae6912014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - (±)-Tryptophan GC-EI-TOF (Non-derivatized)splash10-0udi-0390000000-bf55780347500228fa0a2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - (±)-Tryptophan GC-EI-TOF (Non-derivatized)splash10-0fsi-0930000000-a768dbcdd61c5ddfc7ff2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (±)-Tryptophan GC-MS (Non-derivatized) - 70eV, Positivesplash10-057i-5900000000-19287f7752709aae95d92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (±)-Tryptophan GC-MS (1 TMS) - 70eV, Positivesplash10-00e9-9560000000-6829a8b2a2096883999f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (±)-Tryptophan GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-001i-2900000000-c6c45a933a953618aa8c2014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0udi-0290000000-177c39ffff7351ae58e72017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-014i-0920000000-31f2bf06783a35cb177e2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0zfr-0890000000-70571859405f22f7726d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0uxr-1960000000-4794df4619ca53da8a262017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0zfr-0790000000-71f96432b70be90e3e762017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0a4i-0900000000-678ef44eecd71f98f4bc2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-014i-1910000000-3b90b4510b3064cd82572017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0udi-0090000000-30198ffd85182eef6dbb2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0udi-0190000000-2319c76338ccc72cea912017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0udi-0690000000-2d67e3b24d52541620df2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0udi-0390000000-32f53d156089107421222017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0gb9-1940000000-4d8b6d43d6dc47a0a53c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0udi-0090000000-672eea5be46683e01aa32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0a4i-0900000000-b167000b756e70598ebb2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0udi-0290000000-f83d06a826ee6963c1392017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0udi-0190000000-af6a41a358461c4944d52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-014i-1930000000-fe537846c01a00076d1b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0uxr-1980000000-bc34bf853c58cd38c9ce2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - (±)-Tryptophan LC-ESI-ITFT , negative-QTOFsplash10-0udi-0290000000-fff893c43aa27aebf5822017-09-14HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (±)-Tryptophan 10V, Positive-QTOFsplash10-0a4i-0920000000-825129a9df3095f19bd02015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (±)-Tryptophan 20V, Positive-QTOFsplash10-0a59-0900000000-142753592a64d1b212252015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (±)-Tryptophan 40V, Positive-QTOFsplash10-001i-0900000000-4f3eacbba350705017812015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (±)-Tryptophan 10V, Negative-QTOFsplash10-0udi-3490000000-de7027f417d1320c2b852015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (±)-Tryptophan 20V, Negative-QTOFsplash10-00di-9830000000-415cd821aca8befd3e582015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (±)-Tryptophan 40V, Negative-QTOFsplash10-00xr-9600000000-8e10a14ed0f3f1b8fb232015-05-27Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-30Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified15.5307 +/- 5.778 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified14.8138 +/- 6.3068 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
details
UrineDetected and Quantified11.3657 +/- 8.4904 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Gastroesophageal reflux disease
    • Analysis of 30 no...
details
Associated Disorders and Diseases
Disease References
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Associated OMIM IDs
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002251
KNApSAcK IDC00001396
Chemspider ID1116
KEGG Compound IDC00806
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTryptophan
METLIN IDNot Available
PubChem Compound1148
PDB IDNot Available
ChEBI ID27897
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1420411
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. BARENBOIM GM: [Brief-duration fluorescence of DLtryptophan in frozen solutions]. Biofizika. 1962;7:227-32. [PubMed:13864966 ]
  2. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .