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Showing metabocard for Lactamide (HMDB0253942)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 12:50:56 UTC
Update Date2021-09-26 23:07:33 UTC
HMDB IDHMDB0253942
Secondary Accession NumbersNone
Metabolite Identification
Common NameLactamide
Descriptionlactamide, also known as DL-lactate amide or CH3CH(OH)CONH2, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Based on a literature review a significant number of articles have been published on lactamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Lactamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Lactamide 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 HMDB0253942 (Lactamide)


  Mrv1652305062021442D          

  6  5  0  0  1  0            999 V2000
    2.0928    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361   -0.2063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
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3D MOL for HMDB0253942 (Lactamide)

HMDB0253942
     RDKit          3D
Lactamide
 13 12  0  0  0  0  0  0  0  0999 V2000
   -1.5369    0.2720   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2945   -0.5531   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789   -1.1997    0.7763 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7434    0.3696   -0.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9996    0.4835   -0.1931 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4769    1.0493   -1.8468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2778    1.2635    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9281    0.5551   -1.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832   -0.2447    0.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170   -1.2790   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738   -1.7384    1.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2070    1.2831    0.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055   -0.2611   -0.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  5 12  1  0
  5 13  1  0
M  END
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3D SDF for HMDB0253942 (Lactamide)


  Mrv1652305062021442D          

  6  5  0  0  1  0            999 V2000
    2.0928    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361   -0.2063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0253942

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(O)C(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)

> <INCHI_KEY>
SXQFCVDSOLSHOQ-UHFFFAOYSA-N

> <FORMULA>
C3H7NO2

> <MOLECULAR_WEIGHT>
89.094

> <EXACT_MASS>
89.047678469

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
13

> <JCHEM_AVERAGE_POLARIZABILITY>
8.47972833013686

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-hydroxypropanamide

> <ALOGPS_LOGP>
-1.33

> <JCHEM_LOGP>
-1.2787721316666667

> <ALOGPS_LOGS>
0.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.653121279182866

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.492278941962752

> <JCHEM_PKA_STRONGEST_BASIC>
-3.457265121971747

> <JCHEM_POLAR_SURFACE_AREA>
63.31999999999999

> <JCHEM_REFRACTIVITY>
20.662

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.62e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
propanamide, 2-hydroxy-

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0253942 (Lactamide)

HMDB0253942
     RDKit          3D
Lactamide
 13 12  0  0  0  0  0  0  0  0999 V2000
   -1.5369    0.2720   -0.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2945   -0.5531   -0.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1789   -1.1997    0.7763 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7434    0.3696   -0.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9996    0.4835   -0.1931 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4769    1.0493   -1.8468 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2778    1.2635    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9281    0.5551   -1.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832   -0.2447    0.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5170   -1.2790   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4738   -1.7384    1.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2070    1.2831    0.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7055   -0.2611   -0.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  5 12  1  0
  5 13  1  0
M  END
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PDB for HMDB0253942 (Lactamide)

HEADER    PROTEIN                                 06-MAY-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-20         0                                  
HETATM    1  O   UNK     0       3.907   0.385   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       6.574   1.925   0.000  0.00  0.00           O+0
HETATM    3  N   UNK     0       7.907  -0.385   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       5.240  -0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.240  -1.925   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.574   0.385   0.000  0.00  0.00           C+0
CONECT    1    4                                                            
CONECT    2    6                                                            
CONECT    3    6                                                            
CONECT    4    1    5    6                                                  
CONECT    5    4                                                            
CONECT    6    2    3    4                                                  
MASTER        0    0    0    0    0    0    0    0    6    0   10    0
END
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3D PDB for HMDB0253942 (Lactamide)

COMPND    HMDB0253942
HETATM    1  C1  UNL     1      -1.537   0.272  -0.065  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.294  -0.553  -0.326  1.00  0.00           C  
HETATM    3  O1  UNL     1       0.179  -1.200   0.776  1.00  0.00           O  
HETATM    4  C3  UNL     1       0.743   0.370  -0.832  1.00  0.00           C  
HETATM    5  N1  UNL     1       2.000   0.483  -0.193  1.00  0.00           N  
HETATM    6  O2  UNL     1       0.477   1.049  -1.847  1.00  0.00           O  
HETATM    7  H1  UNL     1      -1.278   1.263   0.401  1.00  0.00           H  
HETATM    8  H2  UNL     1      -1.928   0.555  -1.076  1.00  0.00           H  
HETATM    9  H3  UNL     1      -2.283  -0.245   0.549  1.00  0.00           H  
HETATM   10  H4  UNL     1      -0.517  -1.279  -1.139  1.00  0.00           H  
HETATM   11  H5  UNL     1      -0.474  -1.738   1.273  1.00  0.00           H  
HETATM   12  H6  UNL     1       2.207   1.283   0.471  1.00  0.00           H  
HETATM   13  H7  UNL     1       2.706  -0.261  -0.412  1.00  0.00           H  
CONECT    1    2    7    8    9
CONECT    2    3    4   10
CONECT    3   11
CONECT    4    5    6    6
CONECT    5   12   13
END
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SMILES for HMDB0253942 (Lactamide)

CC(O)C(N)=O
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INCHI for HMDB0253942 (Lactamide)

InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-HydroxypropionamideChEBI
alpha-HydroxypropanamideChEBI
alpha-HydroxypropionamideChEBI
CH3CH(OH)CONH2ChEBI
DL-LactamideChEBI
DL-Lactic acid amideChEBI
Lactic acid amideChEBI
Lactic amideChEBI
MeCH(OH)CONH2ChEBI
a-HydroxypropanamideGenerator
Α-hydroxypropanamideGenerator
a-HydroxypropionamideGenerator
Α-hydroxypropionamideGenerator
DL-Lactate amideGenerator
Lactate amideGenerator
Chemical FormulaC3H7NO2
Average Molecular Weight89.094
Monoisotopic Molecular Weight89.047678469
IUPAC Name2-hydroxypropanamide
Traditional Namepropanamide, 2-hydroxy-
CAS Registry NumberNot Available
SMILES
CC(O)C(N)=O
InChI Identifier
InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)
InChI KeySXQFCVDSOLSHOQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentSecondary alcohols
Alternative Parents
Substituents
  • Secondary alcohol
  • Carboximidic acid derivative
  • Carboximidic acid
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Not AvailableNot 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-1.3ALOGPS
logP-1.3ChemAxon
logS0.8ALOGPS
pKa (Strongest Acidic)13.49ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity20.66 m³·mol⁻¹ChemAxon
Polarizability8.48 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
DeepCCS[M+H]+124.48530932474
DeepCCS[M-H]-122.63930932474
DeepCCS[M-2H]-158.13230932474
DeepCCS[M+Na]+132.19630932474
AllCCS[M+H]+125.532859911
AllCCS[M+H-H2O]+121.132859911
AllCCS[M+NH4]+129.632859911
AllCCS[M+Na]+130.832859911
AllCCS[M-H]-123.032859911
AllCCS[M+Na-2H]-127.732859911
AllCCS[M+HCOO]-132.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
LactamideCC(O)C(N)=O1981.9Standard polar33892256
LactamideCC(O)C(N)=O847.9Standard non polar33892256
LactamideCC(O)C(N)=O1038.8Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Lactamide,2TMS,isomer #1CC(O[Si](C)(C)C)C(=O)N[Si](C)(C)C1147.2Semi standard non polar33892256
Lactamide,2TMS,isomer #1CC(O[Si](C)(C)C)C(=O)N[Si](C)(C)C1142.8Standard non polar33892256
Lactamide,2TMS,isomer #1CC(O[Si](C)(C)C)C(=O)N[Si](C)(C)C1239.7Standard polar33892256
Lactamide,2TMS,isomer #2CC(O)C(=O)N([Si](C)(C)C)[Si](C)(C)C1238.2Semi standard non polar33892256
Lactamide,2TMS,isomer #2CC(O)C(=O)N([Si](C)(C)C)[Si](C)(C)C1167.0Standard non polar33892256
Lactamide,2TMS,isomer #2CC(O)C(=O)N([Si](C)(C)C)[Si](C)(C)C1403.1Standard polar33892256
Lactamide,3TMS,isomer #1CC(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C1282.7Semi standard non polar33892256
Lactamide,3TMS,isomer #1CC(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C1256.0Standard non polar33892256
Lactamide,3TMS,isomer #1CC(O[Si](C)(C)C)C(=O)N([Si](C)(C)C)[Si](C)(C)C1246.1Standard polar33892256
Lactamide,2TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)C(=O)N[Si](C)(C)C(C)(C)C1590.4Semi standard non polar33892256
Lactamide,2TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)C(=O)N[Si](C)(C)C(C)(C)C1547.8Standard non polar33892256
Lactamide,2TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)C(=O)N[Si](C)(C)C(C)(C)C1550.9Standard polar33892256
Lactamide,2TBDMS,isomer #2CC(O)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1621.8Semi standard non polar33892256
Lactamide,2TBDMS,isomer #2CC(O)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1595.8Standard non polar33892256
Lactamide,2TBDMS,isomer #2CC(O)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1611.1Standard polar33892256
Lactamide,3TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1917.4Semi standard non polar33892256
Lactamide,3TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1913.0Standard non polar33892256
Lactamide,3TBDMS,isomer #1CC(O[Si](C)(C)C(C)(C)C)C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1665.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Lactamide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9000000000-46f606fd8be9a34cff602021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lactamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lactamide GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lactamide GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lactamide GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Lactamide GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Lactamide 35V, Positive-QTOFsplash10-0006-9000000000-be41fd429923b73bf1a32021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lactamide 10V, Positive-QTOFsplash10-0002-9000000000-ffaf41dd5afa810060ce2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lactamide 20V, Positive-QTOFsplash10-0002-9000000000-00ba25458eb6c0cc29402021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lactamide 40V, Positive-QTOFsplash10-0002-9000000000-23ab0d3b9c3974c1ab952021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lactamide 10V, Negative-QTOFsplash10-000i-9000000000-83875d710aab43e3f3f32021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lactamide 20V, Negative-QTOFsplash10-000f-9000000000-6d008494d39a460375652021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Lactamide 40V, Negative-QTOFsplash10-0006-9000000000-90726b17dc36e29c52992021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-25Wishart 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 IDNot Available
KNApSAcK IDNot Available
Chemspider ID85030
KEGG Compound IDNot Available
BioCyc IDCPD-13407
BiGG IDNot Available
Wikipedia LinkLactamide
METLIN IDNot Available
PubChem Compound94220
PDB IDNot Available
ChEBI ID75144
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 ]