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Showing metabocard for 5-Pentyloxazole (HMDB0038792)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-12 00:08:13 UTC
Update Date2023-02-21 17:26:44 UTC
HMDB IDHMDB0038792
Secondary Accession Numbers
  • HMDB38792
Metabolite Identification
Common Name5-Pentyloxazole
Description5-Pentyloxazole belongs to the class of organic compounds known as oxazoles. Oxazoles are compounds containing an oxazole ring, which is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole. Based on a literature review very few articles have been published on 5-Pentyloxazole.
Structure
Data?1677000404
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0038792 (5-Pentyloxazole)


  Mrv0541 02241217342D          

 10 10  0  0  0  0            999 V2000
    2.2009    0.6349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7873   -0.6349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7378   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4524   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0038792 (5-Pentyloxazole)

HMDB0038792
     RDKit          3D
5-Pentyloxazole
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.6155    0.3263   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226    0.5424   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4868   -0.7035    0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0257   -0.4878    0.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7299   -0.1851   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    0.0012   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.2971   -0.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3248    0.3750   -0.2217 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0027    0.1413    1.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7114   -0.0783    1.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1811    0.9726    0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285    0.6310   -1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8424   -0.7465   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6399    0.7976   -1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9685    1.3755    0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682   -0.8438    1.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7203   -1.6052   -0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090   -1.4078    1.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1047    0.3570    1.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297   -1.0370   -1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955    0.7144   -1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267    0.4334   -2.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    0.1301    1.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  7 22  1  0
  9 23  1  0
M  END
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3D SDF for HMDB0038792 (5-Pentyloxazole)


  Mrv0541 02241217342D          

 10 10  0  0  0  0            999 V2000
    2.2009    0.6349    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3763    0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1207   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7873   -0.6349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4524   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4061   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3085   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0232   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7378   -0.1498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4524   -0.5621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0038792

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCC1=CN=CO1

> <INCHI_IDENTIFIER>
InChI=1S/C8H13NO/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3

> <INCHI_KEY>
RZCKQDLMEGXPFA-UHFFFAOYSA-N

> <FORMULA>
C8H13NO

> <MOLECULAR_WEIGHT>
139.1949

> <EXACT_MASS>
139.099714043

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
16.29835225023557

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-pentyl-1,3-oxazole

> <ALOGPS_LOGP>
2.74

> <JCHEM_LOGP>
1.9709269136666667

> <ALOGPS_LOGS>
-2.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
1.29070952193506

> <JCHEM_POLAR_SURFACE_AREA>
26.03

> <JCHEM_REFRACTIVITY>
40.244099999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.75e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-pentyl-1,3-oxazole

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0038792 (5-Pentyloxazole)

HMDB0038792
     RDKit          3D
5-Pentyloxazole
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.6155    0.3263   -0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1226    0.5424   -0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4868   -0.7035    0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0257   -0.4878    0.7627 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7299   -0.1851   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    0.0012   -0.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2151    0.2971   -0.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3248    0.3750   -0.2217 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0027    0.1413    1.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7114   -0.0783    1.0832 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1811    0.9726    0.4954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9285    0.6310   -1.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8424   -0.7465   -0.0632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6399    0.7976   -1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9685    1.3755    0.6862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9682   -0.8438    1.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7203   -1.6052   -0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4090   -1.4078    1.2091 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1047    0.3570    1.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6297   -1.0370   -1.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3955    0.7144   -1.0199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1267    0.4334   -2.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776    0.1301    1.9179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  7 22  1  0
  9 23  1  0
M  END
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PDB for HMDB0038792 (5-Pentyloxazole)

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  N   UNK     0       4.108   1.185   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       2.569   1.185   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.092  -0.280   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       3.336  -1.185   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       4.578  -0.280   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.758  -1.049   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.576  -0.280   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.910  -1.049   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.244  -0.280   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.578  -1.049   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    6                                                  
CONECT    4    3    5                                                       
CONECT    5    1    4                                                       
CONECT    6    3    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0038792 (5-Pentyloxazole)

COMPND    HMDB0038792
HETATM    1  C1  UNL     1      -3.615   0.326  -0.232  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.123   0.542  -0.031  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.487  -0.703   0.567  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.026  -0.488   0.763  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.730  -0.185  -0.485  1.00  0.00           C  
HETATM    6  C6  UNL     1       2.172   0.001  -0.108  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.215   0.297  -0.972  1.00  0.00           C  
HETATM    8  N1  UNL     1       4.325   0.375  -0.222  1.00  0.00           N  
HETATM    9  C8  UNL     1       4.003   0.141   1.048  1.00  0.00           C  
HETATM   10  O1  UNL     1       2.711  -0.078   1.083  1.00  0.00           O  
HETATM   11  H1  UNL     1      -4.181   0.973   0.495  1.00  0.00           H  
HETATM   12  H2  UNL     1      -3.928   0.631  -1.253  1.00  0.00           H  
HETATM   13  H3  UNL     1      -3.842  -0.747  -0.063  1.00  0.00           H  
HETATM   14  H4  UNL     1      -1.640   0.798  -1.004  1.00  0.00           H  
HETATM   15  H5  UNL     1      -1.968   1.376   0.686  1.00  0.00           H  
HETATM   16  H6  UNL     1      -1.968  -0.844   1.557  1.00  0.00           H  
HETATM   17  H7  UNL     1      -1.720  -1.605  -0.030  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.409  -1.408   1.209  1.00  0.00           H  
HETATM   19  H9  UNL     1       0.105   0.357   1.473  1.00  0.00           H  
HETATM   20  H10 UNL     1       0.630  -1.037  -1.218  1.00  0.00           H  
HETATM   21  H11 UNL     1       0.396   0.714  -1.020  1.00  0.00           H  
HETATM   22  H12 UNL     1       3.127   0.433  -2.036  1.00  0.00           H  
HETATM   23  H13 UNL     1       4.678   0.130   1.918  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4   16   17
CONECT    4    5   18   19
CONECT    5    6   20   21
CONECT    6    7    7   10
CONECT    7    8   22
CONECT    8    9    9
CONECT    9   10   23
END
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SMILES for HMDB0038792 (5-Pentyloxazole)

CCCCCC1=CN=CO1
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INCHI for HMDB0038792 (5-Pentyloxazole)

InChI=1S/C8H13NO/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC8H13NO
Average Molecular Weight139.1949
Monoisotopic Molecular Weight139.099714043
IUPAC Name5-pentyl-1,3-oxazole
Traditional Name5-pentyl-1,3-oxazole
CAS Registry Number84027-84-9
SMILES
CCCCCC1=CN=CO1
InChI Identifier
InChI=1S/C8H13NO/c1-2-3-4-5-8-6-9-7-10-8/h6-7H,2-5H2,1H3
InChI KeyRZCKQDLMEGXPFA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as oxazoles. Oxazoles are compounds containing an oxazole ring, which is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassAzoles
Sub ClassOxazoles
Direct ParentOxazoles
Alternative Parents
Substituents
  • Heteroaromatic compound
  • Oxazole
  • Oxacycle
  • Azacycle
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility396.3 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.68 g/LALOGPS
logP2.74ALOGPS
logP1.97ChemAxon
logS-2.3ALOGPS
pKa (Strongest Basic)1.29ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.03 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity40.24 m³·mol⁻¹ChemAxon
Polarizability16.3 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
DarkChem[M+H]+130.75631661259
DarkChem[M-H]-126.7231661259
DeepCCS[M+H]+137.07930932474
DeepCCS[M-H]-134.97530932474
DeepCCS[M-2H]-171.05530932474
DeepCCS[M+Na]+145.79730932474
AllCCS[M+H]+130.632859911
AllCCS[M+H-H2O]+126.132859911
AllCCS[M+NH4]+134.932859911
AllCCS[M+Na]+136.132859911
AllCCS[M-H]-133.532859911
AllCCS[M+Na-2H]-135.232859911
AllCCS[M+HCOO]-137.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
5-PentyloxazoleCCCCCC1=CN=CO11470.7Standard polar33892256
5-PentyloxazoleCCCCCC1=CN=CO11060.5Standard non polar33892256
5-PentyloxazoleCCCCCC1=CN=CO11064.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 5-Pentyloxazole GC-MS (Non-derivatized) - 70eV, Positivesplash10-005c-9200000000-c85be0b3e6cd3259030c2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-Pentyloxazole GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 5-Pentyloxazole 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 - 5-Pentyloxazole 10V, Positive-QTOFsplash10-0006-0900000000-ac9d908c2048c17b3be42016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 20V, Positive-QTOFsplash10-0006-9600000000-d77176378973f30699e02016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 40V, Positive-QTOFsplash10-0pbc-9000000000-5dbf5dd0a3852e5a0b932016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 10V, Negative-QTOFsplash10-000i-0900000000-3e7507940e9e6e9502fd2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 20V, Negative-QTOFsplash10-000i-3900000000-36a6948eae23c27cf86f2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 40V, Negative-QTOFsplash10-0fb9-9100000000-919cc2924ed057ae54b12016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 10V, Positive-QTOFsplash10-0006-7900000000-000f737c8d7387519ab22021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 20V, Positive-QTOFsplash10-0006-9000000000-f755f0bfa141b5186a9a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 40V, Positive-QTOFsplash10-0006-9000000000-8ddc6af373dfb278d32d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 10V, Negative-QTOFsplash10-000i-0900000000-46122e7c9ba4f80060de2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 20V, Negative-QTOFsplash10-052r-5900000000-7412521cdd8287bc45c42021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 5-Pentyloxazole 40V, Negative-QTOFsplash10-015c-9000000000-132d33aa82ff165196db2021-09-23Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB018216
KNApSAcK IDNot Available
Chemspider ID30777293
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound66692646
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1871391
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .