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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-05-30 20:55:50 UTC
HMDB IDHMDB0000671
Secondary Accession Numbers
  • HMDB00671
Metabolite Identification
Common NameIndolelactic acid
DescriptionIndolelactic acid (CAS: 1821-52-9) is a tryptophan metabolite found in human plasma, serum, and urine. Tryptophan is metabolized by two major pathways in humans, either through kynurenine or via a series of indoles, and some of its metabolites are known to be biologically active. Indolelactic acid is present in various amounts, significantly higher in umbilical fetal plasma than in maternal plasma in the protein-bound form (PMID 2361979 , 1400722 , 3597614 , 11060358 , 1400722 ). Indolelactic acid is also a microbial metabolite; urinary indole-3-lactate is produced by Clostridium sporogenes (PMID: 29168502 ).
Structure
Data?1676999703
Synonyms
ValueSource
IndolelactateGenerator
3-(indol-3-yl) LACTic acidHMDB
(2S)-2-Hydroxy-3-(1H-indol-3-yl)propanoic acidHMDB
(2S)-2-Hydroxy-3-(1H-indol-3-yl)propionic acidHMDB
(2S)-2-Hydroxy-3-indoylpropanoic acidHMDB
(2S)-2-Hydroxy-3-indoylpropionic acidHMDB
(S)-2-Hydroxy-3-(1H-indol-3-yl)propanoic acidHMDB
(S)-2-Hydroxy-3-(1H-indol-3-yl)propionic acidHMDB
(S)-Indole-3-lactic acidHMDB
(AlphaS)-alpha-hydroxy-1H-indole-3-propanoic acidHMDB
(AlphaS)-alpha-hydroxy-1H-indole-3-propionic acidHMDB
(ΑS)-α-hydroxy-1H-indole-3-propanoic acidHMDB
(ΑS)-α-hydroxy-1H-indole-3-propionic acidHMDB
2-(1H-indol-3-yl)AcetaldehydeHMDB
2-Hydroxy-3-(1H-indol-3-yl)propanoic acidHMDB
2-Hydroxy-3-(1H-indol-3-yl)propionic acidHMDB
2-Hydroxy-3-(3-indolyl)propanoic acidHMDB
2-Hydroxy-3-(3-indolyl)propionic acidHMDB
3-(3-Indolyl)-2-hydroxypropanoic acidHMDB
3-(3-Indolyl)-2-hydroxypropionic acidHMDB
3-(3-Indolyl)-DL-lactic acidHMDB
3-Indolyllactic acidHMDB
Indole-3-L-lactic acidHMDB
Indole-3-lactic acidHMDB
L-3-(3-Indolyl)lactic acidHMDB
L-Indole-3-lactic acidHMDB
alpha-Hydroxy-1H-indole-3-propanoic acidHMDB
alpha-Hydroxy-1H-indole-3-propionic acidHMDB
beta-(3-Indolyl)lactic acidHMDB
beta-Indolyllactic acidHMDB
Α-hydroxy-1H-indole-3-propanoic acidHMDB
Α-hydroxy-1H-indole-3-propionic acidHMDB
Β-(3-indolyl)lactic acidHMDB
Β-indolyllactic acidHMDB
Indolelactic acidHMDB
Chemical FormulaC11H11NO3
Average Molecular Weight205.2099
Monoisotopic Molecular Weight205.073893223
IUPAC Name(2S)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Traditional Name3-(indol-3-yl) lactate
CAS Registry Number7417-65-4
SMILES
O[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O
InChI Identifier
InChI=1S/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)/t10-/m0/s1
InChI KeyXGILAAMKEQUXLS-JTQLQIEISA-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
  • 3-alkylindole
  • Indole
  • Alpha-hydroxy acid
  • Hydroxy acid
  • Substituted pyrrole
  • Benzenoid
  • Pyrrole
  • Heteroaromatic compound
  • Secondary alcohol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Azacycle
  • Hydrocarbon derivative
  • Alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
Process
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility17 mg/mLNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M-H]-MetCCS_train_neg146.51230932474
[M+H]+MetCCS_train_pos143.78430932474
[M-H]-Not Available146.512http://allccs.zhulab.cn/database/detail?ID=AllCCS00000327
[M+H]+Not Available143.926http://allccs.zhulab.cn/database/detail?ID=AllCCS00000327
Predicted Molecular Properties
PropertyValueSource
Water Solubility2.12 g/LALOGPS
logP1.33ALOGPS
logP1.28ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)4.14ChemAxon
pKa (Strongest Basic)-3.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area73.32 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity54.55 m³·mol⁻¹ChemAxon
Polarizability20.7 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+142.42330932474
DeepCCS[M-H]-140.02730932474
DeepCCS[M-2H]-173.97930932474
DeepCCS[M+Na]+148.59230932474
AllCCS[M+H]+145.932859911
AllCCS[M+H-H2O]+141.832859911
AllCCS[M+NH4]+149.732859911
AllCCS[M+Na]+150.832859911
AllCCS[M-H]-145.732859911
AllCCS[M+Na-2H]-145.832859911
AllCCS[M+HCOO]-146.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Indolelactic acidO[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O3665.5Standard polar33892256
Indolelactic acidO[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O1828.6Standard non polar33892256
Indolelactic acidO[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O2185.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Indolelactic acid,1TMS,isomer #1C[Si](C)(C)O[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O2189.4Semi standard non polar33892256
Indolelactic acid,1TMS,isomer #2C[Si](C)(C)OC(=O)[C@@H](O)CC1=C[NH]C2=CC=CC=C122133.6Semi standard non polar33892256
Indolelactic acid,1TMS,isomer #3C[Si](C)(C)N1C=C(C[C@H](O)C(=O)O)C2=CC=CC=C212222.5Semi standard non polar33892256
Indolelactic acid,2TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)O[Si](C)(C)C2165.3Semi standard non polar33892256
Indolelactic acid,2TMS,isomer #2C[Si](C)(C)O[C@@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)C(=O)O2181.4Semi standard non polar33892256
Indolelactic acid,2TMS,isomer #3C[Si](C)(C)OC(=O)[C@@H](O)CC1=CN([Si](C)(C)C)C2=CC=CC=C122153.7Semi standard non polar33892256
Indolelactic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)O[Si](C)(C)C2209.4Semi standard non polar33892256
Indolelactic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)O[Si](C)(C)C2173.7Standard non polar33892256
Indolelactic acid,3TMS,isomer #1C[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C)C2=CC=CC=C12)O[Si](C)(C)C2311.5Standard polar33892256
Indolelactic acid,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)O[C@@H](CC1=C[NH]C2=CC=CC=C12)C(=O)O2479.4Semi standard non polar33892256
Indolelactic acid,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)CC1=C[NH]C2=CC=CC=C122409.3Semi standard non polar33892256
Indolelactic acid,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C=C(C[C@H](O)C(=O)O)C2=CC=CC=C212484.0Semi standard non polar33892256
Indolelactic acid,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=C[NH]C2=CC=CC=C12)O[Si](C)(C)C(C)(C)C2691.5Semi standard non polar33892256
Indolelactic acid,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)C(=O)O2683.1Semi standard non polar33892256
Indolelactic acid,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)[C@@H](O)CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C122626.1Semi standard non polar33892256
Indolelactic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)O[Si](C)(C)C(C)(C)C2845.0Semi standard non polar33892256
Indolelactic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)O[Si](C)(C)C(C)(C)C2802.2Standard non polar33892256
Indolelactic acid,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)[C@H](CC1=CN([Si](C)(C)C(C)(C)C)C2=CC=CC=C12)O[Si](C)(C)C(C)(C)C2647.3Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Indolelactic acid GC-MS (2 TMS)splash10-001i-0900000000-a73dacebbb4e696069e32020-02-10HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Indolelactic acid GC-MS (3 TMS)splash10-0udi-0290000000-fabadc12766d82241f9d2020-02-10HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Indolelactic acid GC-MS (Non-derivatized)splash10-001i-0900000000-a73dacebbb4e696069e32020-02-10HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Indolelactic acid GC-MS (Non-derivatized)splash10-0udi-0290000000-fabadc12766d82241f9d2020-02-10HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Indolelactic acid GC-EI-TOF (Non-derivatized)splash10-001i-0900000000-026f2953e75b09c74d712020-02-10HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Indolelactic acid GC-EI-TOF (Non-derivatized)splash10-0udi-0390000000-f0750c125bcd98a91da92020-02-10HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-053f-3900000000-518956592de7aaad712f2017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TBDMS_2_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TBDMS_2_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Indolelactic acid GC-MS (TBDMS_2_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Indolelactic acid Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0bti-0950000000-59498880ad7081aa37532020-02-10HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Indolelactic acid Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-0159-0900000000-6a8d0e31efc5b93545e62020-02-10HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Indolelactic acid Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-015c-2900000000-90fc3496f234f903c6de2020-02-10HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Indolelactic acid LC-ESI-qTof , Positive-QTOFsplash10-00lr-0900000000-887bb7e62bbec731a8f72020-02-10HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Indolelactic acid LC-ESI-IT , positive-QTOFsplash10-01p9-0900000000-a21984d35288538673d92020-02-10HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Indolelactic acid , positive-QTOFsplash10-00lr-0900000000-887bb7e62bbec731a8f72020-02-10HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 10V, Positive-QTOFsplash10-0bu9-0930000000-eb637fab2d892b6f884b2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 20V, Positive-QTOFsplash10-01q9-0900000000-71208d388abba707ce942017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 40V, Positive-QTOFsplash10-001i-1900000000-11da08a6a64282a294a32017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 10V, Negative-QTOFsplash10-0udi-3590000000-4f5f452c037ff11517992017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 20V, Negative-QTOFsplash10-0m8c-2910000000-63debafc3bcaff103bdd2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 40V, Negative-QTOFsplash10-014i-4900000000-ab106b4b81c99f1d7ebd2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 10V, Negative-QTOFsplash10-0g4r-5950000000-3f3287f11e17b591ca4c2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 20V, Negative-QTOFsplash10-014i-9800000000-e6a4bb98ed20d6fc95e12021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 40V, Negative-QTOFsplash10-014i-1900000000-302e068c5b69a4503cc62021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 10V, Positive-QTOFsplash10-0buc-0920000000-3019b4b814cdf115acfb2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 20V, Positive-QTOFsplash10-02al-0900000000-484d4e288555da486bce2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Indolelactic acid 40V, Positive-QTOFsplash10-001l-2900000000-4f3f55f2b6430ce9ce502021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2020-02-10Wishart 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)2020-02-10Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Feces
  • Urine
Tissue Locations
  • Placenta
  • Prostate
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified2.8 (0.5-5.0) uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
details
BloodDetected 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 QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified0.46 (0.098-0.98) umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal
details
UrineDetected and Quantified0.11 (0.07-0.22) umol/mmol creatinineNewborn (0-30 days old)Both
Normal
    • Analysis of 40 NI...
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal
details
UrineDetected and Quantified0.9 umol/mmol creatinineAdult (>18 years old)Both
Normal
details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal Cancer details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer
details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)FemaleEpithelial ovarian cancer details
UrineDetected and Quantified322.045 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Gastroesophageal reflux disease
    • Analysis of 30 no...
details
Associated Disorders and Diseases
Disease References
Colorectal cancer
  1. Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
  2. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Associated OMIM IDs
DrugBank IDDB07060
Phenol Explorer Compound IDNot Available
FooDB IDFDB022174
KNApSAcK IDC00052322
Chemspider ID588900
KEGG Compound IDC02043
BioCyc IDINDOLE_LACTATE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound676157
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNarayanan, T. K.; Rao, G. Ramananda. Beta-indoleethanol and beta-indolelactic acid production by Candida species: Their antibacterial and autoantibiotic action. Antimicrobial Agents and Chemotherapy (1976), 9(3), 375-80.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
  2. Morita I, Kawamoto M, Hattori M, Eguchi K, Sekiba K, Yoshida H: Determination of tryptophan and its metabolites in human plasma and serum by high-performance liquid chromatography with automated sample clean-up system. J Chromatogr. 1990 Apr 6;526(2):367-74. [PubMed:2361979 ]
  3. Salen G, Xu G, Tint GS, Batta AK, Shefer S: Hyperabsorption and retention of campestanol in a sitosterolemic homozygote: comparison with her mother and three control subjects. J Lipid Res. 2000 Nov;41(11):1883-9. [PubMed:11060358 ]
  4. Morita I, Kawamoto M, Yoshida H: Difference in the concentration of tryptophan metabolites between maternal and umbilical foetal blood. J Chromatogr. 1992 May 8;576(2):334-9. [PubMed:1400722 ]
  5. Artigas F, Gelpi E: Evaluation of the potential of thermospray liquid chromatography-mass spectrometry in neurochemistry. J Chromatogr. 1987 May 8;394(1):123-34. [PubMed:3597614 ]
  6. Dodd D, Spitzer MH, Van Treuren W, Merrill BD, Hryckowian AJ, Higginbottom SK, Le A, Cowan TM, Nolan GP, Fischbach MA, Sonnenburg JL: A gut bacterial pathway metabolizes aromatic amino acids into nine circulating metabolites. Nature. 2017 Nov 30;551(7682):648-652. doi: 10.1038/nature24661. Epub 2017 Nov 22. [PubMed:29168502 ]
  7. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]