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Showing metabocard for Pyrroline (HMDB0245392)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-10 22:28:01 UTC
Update Date2021-09-26 22:53:50 UTC
HMDB IDHMDB0245392
Secondary Accession NumbersNone
Metabolite Identification
Common NamePyrroline
DescriptionPyrroline, also known as δ(2)-pyrroline or dihydropyrrole, belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms. In humans, pyrroline is involved in the metabolic disorder called hyperornithinemia with gyrate atrophy (hoga). Pyrroline has been detected, but not quantified in, common peas (Pisum sativum). This could make pyrroline a potential biomarker for the consumption of these foods. Pyrroline is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Pyrroline. This compound has been identified in human blood as reported by (PMID: 31557052 ). Pyrroline is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Pyrroline is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0245392 (Pyrroline)


  Mrv0541 02241221512D          

  5  5  0  0  0  0            999 V2000
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
M  END
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3D MOL for HMDB0245392 (Pyrroline)

HMDB0245392
     RDKit          3D
Pyrroline
 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.9657    0.7980    0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543    1.3186    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256    0.2831    0.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152   -0.9050   -0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8387   -0.6748    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9228    1.3207    0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4787    2.3731   -0.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2234    0.3628    0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441   -0.8492   -1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968   -1.8389   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474   -1.2177   -0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7634   -0.9708    1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  1  6  1  0
  2  7  1  0
  3  8  1  0
  4  9  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
M  END
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3D SDF for HMDB0245392 (Pyrroline)


  Mrv0541 02241221512D          

  5  5  0  0  0  0            999 V2000
    0.5678    1.1143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2352    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9803   -0.1553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -0.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0997    0.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  1  5  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0245392

> <DATABASE_NAME>
hmdb

> <SMILES>
C1CC=CN1

> <INCHI_IDENTIFIER>
InChI=1S/C4H7N/c1-2-4-5-3-1/h1,3,5H,2,4H2

> <INCHI_KEY>
RSEBUVRVKCANEP-UHFFFAOYSA-N

> <FORMULA>
C4H7N

> <MOLECULAR_WEIGHT>
69.1051

> <EXACT_MASS>
69.057849229

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
7.8300943523749496

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3-dihydro-1H-pyrrole

> <ALOGPS_LOGP>
-0.11

> <JCHEM_LOGP>
0.22489803999999994

> <ALOGPS_LOGS>
0.54

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
10.496406610816642

> <JCHEM_POLAR_SURFACE_AREA>
12.03

> <JCHEM_REFRACTIVITY>
22.3275

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.39e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
azoline

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0245392 (Pyrroline)

HMDB0245392
     RDKit          3D
Pyrroline
 12 12  0  0  0  0  0  0  0  0999 V2000
   -0.9657    0.7980    0.1452 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2543    1.3186    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256    0.2831    0.0424 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5152   -0.9050   -0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8387   -0.6748    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9228    1.3207    0.1669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4787    2.3731   -0.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2234    0.3628    0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4441   -0.8492   -1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9968   -1.8389   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6474   -1.2177   -0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7634   -0.9708    1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  1  6  1  0
  2  7  1  0
  3  8  1  0
  4  9  1  0
  4 10  1  0
  5 11  1  0
  5 12  1  0
M  END
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PDB for HMDB0245392 (Pyrroline)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       1.060   2.080   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.306   1.175   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       1.830  -0.290   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.290  -0.290   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.186   1.175   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    1                                                       
MASTER        0    0    0    0    0    0    0    0    5    0   10    0
END
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3D PDB for HMDB0245392 (Pyrroline)

COMPND    HMDB0245392
HETATM    1  C1  UNL     1      -0.966   0.798   0.145  1.00  0.00           C  
HETATM    2  C2  UNL     1       0.254   1.319   0.026  1.00  0.00           C  
HETATM    3  N1  UNL     1       1.226   0.283   0.042  1.00  0.00           N  
HETATM    4  C3  UNL     1       0.515  -0.905  -0.380  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.839  -0.675   0.251  1.00  0.00           C  
HETATM    6  H1  UNL     1      -1.923   1.321   0.167  1.00  0.00           H  
HETATM    7  H2  UNL     1       0.479   2.373  -0.069  1.00  0.00           H  
HETATM    8  H3  UNL     1       2.223   0.363   0.301  1.00  0.00           H  
HETATM    9  H4  UNL     1       0.444  -0.849  -1.491  1.00  0.00           H  
HETATM   10  H5  UNL     1       0.997  -1.839  -0.036  1.00  0.00           H  
HETATM   11  H6  UNL     1      -1.647  -1.218  -0.276  1.00  0.00           H  
HETATM   12  H7  UNL     1      -0.763  -0.971   1.320  1.00  0.00           H  
CONECT    1    2    2    5    6
CONECT    2    3    7
CONECT    3    4    8
CONECT    4    5    9   10
CONECT    5   11   12
END
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SMILES for HMDB0245392 (Pyrroline)

C1CC=CN1
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INCHI for HMDB0245392 (Pyrroline)

InChI=1S/C4H7N/c1-2-4-5-3-1/h1,3,5H,2,4H2
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Delta(2)-PyrrolineChEBI
Δ(2)-pyrrolineGenerator
DihydropyrroleHMDB
Chemical FormulaC4H7N
Average Molecular Weight69.1051
Monoisotopic Molecular Weight69.057849229
IUPAC Name2,3-dihydro-1H-pyrrole
Traditional Nameazoline
CAS Registry NumberNot Available
SMILES
C1CC=CN1
InChI Identifier
InChI=1S/C4H7N/c1-2-4-5-3-1/h1,3,5H,2,4H2
InChI KeyRSEBUVRVKCANEP-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrrolines. Pyrrolines are compounds containing a pyrroline ring, which is a five-member unsaturated aliphatic ring with one nitrogen atom and four carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyrrolines
Sub ClassNot Available
Direct ParentPyrrolines
Alternative Parents
Substituents
  • Pyrroline
  • Allylamine
  • Azacycle
  • Secondary amine
  • Enamine
  • Secondary aliphatic amine
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Amine
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-0.11ALOGPS
logP0.22ChemAxon
logS0.54ALOGPS
pKa (Strongest Basic)10.5ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area12.03 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity22.33 m³·mol⁻¹ChemAxon
Polarizability7.83 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+118.32730932474
DeepCCS[M-H]-116.43230932474
DeepCCS[M-2H]-151.83630932474
DeepCCS[M+Na]+126.27630932474
AllCCS[M+H]+113.032859911
AllCCS[M+H-H2O]+107.632859911
AllCCS[M+NH4]+118.132859911
AllCCS[M+Na]+119.532859911
AllCCS[M-H]-118.732859911
AllCCS[M+Na-2H]-123.332859911
AllCCS[M+HCOO]-128.232859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 20228.1662 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20225.01 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid736.9 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid322.2 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid96.6 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid229.0 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid64.7 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid245.4 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid238.5 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)362.2 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid580.5 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid107.7 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid731.4 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid208.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid238.2 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate588.8 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA288.4 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water178.6 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PyrrolineC1CC=CN11301.1Standard polar33892256
PyrrolineC1CC=CN1720.2Standard non polar33892256
PyrrolineC1CC=CN1740.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Pyrroline,1TMS,isomer #1C[Si](C)(C)N1C=CCC11023.8Semi standard non polar33892256
Pyrroline,1TMS,isomer #1C[Si](C)(C)N1C=CCC11014.6Standard non polar33892256
Pyrroline,1TMS,isomer #1C[Si](C)(C)N1C=CCC11185.1Standard polar33892256
Pyrroline,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C=CCC11244.1Semi standard non polar33892256
Pyrroline,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C=CCC11225.2Standard non polar33892256
Pyrroline,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C=CCC11417.0Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Pyrroline GC-MS (Non-derivatized) - 70eV, Positivesplash10-016u-9000000000-d6b4da0c92d01ee842f92021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyrroline GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 10V, Positive-QTOFsplash10-00di-9000000000-0a26194878606a1a69bd2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 20V, Positive-QTOFsplash10-00di-9000000000-372473593f3f72ecd91b2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 40V, Positive-QTOFsplash10-0udl-9000000000-fa819e0dfc16378e47692016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 10V, Negative-QTOFsplash10-014i-9000000000-a737ea96b50ae8e9cd8f2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 20V, Negative-QTOFsplash10-014i-9000000000-ac411ddf6af5f7891e782016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 40V, Negative-QTOFsplash10-0udi-9000000000-363a4bc218783f339b8e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 10V, Positive-QTOFsplash10-00di-9000000000-6af75747a42ba65860f42021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 20V, Positive-QTOFsplash10-006x-9000000000-f18c6cc0d79078af759a2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 40V, Positive-QTOFsplash10-0udl-9000000000-cffaac43ae81087e85562021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 10V, Negative-QTOFsplash10-014i-9000000000-baef1c6704ee822491012021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 20V, Negative-QTOFsplash10-014i-9000000000-c766a7cb420f33cb0ed12021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyrroline 40V, Negative-QTOFsplash10-014i-9000000000-e42d1273c001fbfb165a2021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB006688
KNApSAcK IDC00007606
Chemspider ID85187
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPyrroline
METLIN IDNot Available
PubChem Compound94395
PDB IDNot Available
ChEBI ID32986
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]