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Showing metabocard for Teresantalol (HMDB0035280)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:14:10 UTC
Update Date2022-03-07 02:54:26 UTC
HMDB IDHMDB0035280
Secondary Accession Numbers
  • HMDB35280
Metabolite Identification
Common NameTeresantalol
DescriptionTeresantalol belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Teresantalol is an extremely weak basic (essentially neutral) compound (based on its pKa).
Structure
Data?1563862693
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0035280 (Teresantalol)


  Mrv0541 02241217502D          

 11 13  0  0  0  0            999 V2000
    0.1257    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836   -1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7121   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9635    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7121    0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4660   -0.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2513    1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7959    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4660    0.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0035280 (Teresantalol)

HMDB0035280
     RDKit          3D
Teresantalol
 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.1689    1.4524    0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761    0.2042   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7558   -0.8250   -0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1628   -1.1610    1.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0818    0.4968   -1.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183    1.4850   -1.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238    0.6586    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497   -0.7304   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7679   -0.7254   -1.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764   -0.2410    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395   -0.8206    1.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6099    2.1070   -0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117    1.1917    1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3287    1.9538    1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5439   -1.7129   -0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6465   -0.3342   -0.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9842   -2.1043    1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.8208   -2.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    1.5881   -1.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    2.4334   -0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4377    1.0648    0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2900   -1.4931   -0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4560   -0.5491   -2.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269   -1.6656   -1.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123   -1.9398    1.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2354   -0.4445    2.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5495   -0.7098    2.4288 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
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10  2  1  0
  9  5  1  0
 10  7  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
  9 24  1  0
 11 25  1  0
 11 26  1  0
 11 27  1  0
M  END
Download

3D SDF for HMDB0035280 (Teresantalol)


  Mrv0541 02241217502D          

 11 13  0  0  0  0            999 V2000
    0.1257    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5444   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836   -1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7121   -0.7748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9635    0.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7121    0.0213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4660   -0.2302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2513    1.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836    0.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7959    0.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4660    0.2723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035280

> <DATABASE_NAME>
hmdb

> <SMILES>
CC12C3CC(CC13)C2(C)CO

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3

> <INCHI_KEY>
ZWUWJJHLJNLVDD-UHFFFAOYSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
17.901571013956442

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}methanol

> <ALOGPS_LOGP>
2.03

> <JCHEM_LOGP>
1.1606727546666662

> <ALOGPS_LOGS>
-2.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.89704381501985

> <JCHEM_PKA_STRONGEST_BASIC>
-1.0942330353103173

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
43.6665

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.07e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}methanol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0035280 (Teresantalol)

HMDB0035280
     RDKit          3D
Teresantalol
 27 29  0  0  0  0  0  0  0  0999 V2000
   -1.1689    1.4524    0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6761    0.2042   -0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7558   -0.8250   -0.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1628   -1.1610    1.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0818    0.4968   -1.4616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183    1.4850   -1.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238    0.6586    0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497   -0.7304   -0.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7679   -0.7254   -1.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5764   -0.2410    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395   -0.8206    1.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6099    2.1070   -0.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117    1.1917    1.3533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3287    1.9538    1.1006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5439   -1.7129   -0.7425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6465   -0.3342   -0.6264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9842   -2.1043    1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7125    0.8208   -2.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    1.5881   -1.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    2.4334   -0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4377    1.0648    0.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2900   -1.4931   -0.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4560   -0.5491   -2.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2269   -1.6656   -1.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4123   -1.9398    1.8509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2354   -0.4445    2.6219 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5495   -0.7098    2.4288 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
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10  2  1  0
  9  5  1  0
 10  7  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  8 22  1  0
  9 23  1  0
  9 24  1  0
 11 25  1  0
 11 26  1  0
 11 27  1  0
M  END
Download

PDB for HMDB0035280 (Teresantalol)

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       0.235   1.290   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.016  -0.664   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.156  -1.916   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.329  -1.446   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.799   0.586   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.329   0.040   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.737  -0.430   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.469   1.916   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.156   0.508   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.486   1.290   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       2.737   0.508   0.000  0.00  0.00           O+0
CONECT    1    2    5                                                       
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    1    4    6                                                  
CONECT    6    4    5    7    9                                             
CONECT    7    6                                                            
CONECT    8    9                                                            
CONECT    9    2    6    8   10                                             
CONECT   10    9   11                                                       
CONECT   11   10                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   26    0
END
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3D PDB for HMDB0035280 (Teresantalol)

COMPND    HMDB0035280
HETATM    1  C1  UNL     1      -1.169   1.452   0.553  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.676   0.204  -0.120  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.756  -0.825  -0.132  1.00  0.00           C  
HETATM    4  O1  UNL     1      -2.163  -1.161   1.138  1.00  0.00           O  
HETATM    5  C4  UNL     1      -0.082   0.497  -1.462  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.018   1.485  -1.045  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.624   0.659   0.096  1.00  0.00           C  
HETATM    8  C7  UNL     1       1.550  -0.730  -0.381  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.768  -0.725  -1.704  1.00  0.00           C  
HETATM   10  C9  UNL     1       0.576  -0.241   0.602  1.00  0.00           C  
HETATM   11  C10 UNL     1       0.540  -0.821   1.947  1.00  0.00           C  
HETATM   12  H1  UNL     1      -1.610   2.107  -0.208  1.00  0.00           H  
HETATM   13  H2  UNL     1      -1.912   1.192   1.353  1.00  0.00           H  
HETATM   14  H3  UNL     1      -0.329   1.954   1.101  1.00  0.00           H  
HETATM   15  H4  UNL     1      -1.544  -1.713  -0.743  1.00  0.00           H  
HETATM   16  H5  UNL     1      -2.646  -0.334  -0.626  1.00  0.00           H  
HETATM   17  H6  UNL     1      -1.984  -2.104   1.342  1.00  0.00           H  
HETATM   18  H7  UNL     1      -0.713   0.821  -2.239  1.00  0.00           H  
HETATM   19  H8  UNL     1       1.760   1.588  -1.867  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.610   2.433  -0.704  1.00  0.00           H  
HETATM   21  H10 UNL     1       2.438   1.065   0.682  1.00  0.00           H  
HETATM   22  H11 UNL     1       2.290  -1.493  -0.197  1.00  0.00           H  
HETATM   23  H12 UNL     1       1.456  -0.549  -2.545  1.00  0.00           H  
HETATM   24  H13 UNL     1       0.227  -1.666  -1.744  1.00  0.00           H  
HETATM   25  H14 UNL     1       0.412  -1.940   1.851  1.00  0.00           H  
HETATM   26  H15 UNL     1      -0.235  -0.445   2.622  1.00  0.00           H  
HETATM   27  H16 UNL     1       1.549  -0.710   2.429  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3    5   10
CONECT    3    4   15   16
CONECT    4   17
CONECT    5    6    9   18
CONECT    6    7   19   20
CONECT    7    8   10   21
CONECT    8    9   10   22
CONECT    9   23   24
CONECT   10   11
CONECT   11   25   26   27
END
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SMILES for HMDB0035280 (Teresantalol)

CC12C3CC(CC13)C2(C)CO
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INCHI for HMDB0035280 (Teresantalol)

InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
2,3-Dimethyl-tricyclo[2.2.1.0(2,6)]heptane-3-methanolHMDB
2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-methanol, 9ciHMDB
Chemical FormulaC10H16O
Average Molecular Weight152.2334
Monoisotopic Molecular Weight152.120115134
IUPAC Name{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}methanol
Traditional Name{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}methanol
CAS Registry Number29550-55-8
SMILES
CC12C3CC(CC13)C2(C)CO
InChI Identifier
InChI=1S/C10H16O/c1-9(5-11)6-3-7-8(4-6)10(7,9)2/h6-8,11H,3-5H2,1-2H3
InChI KeyZWUWJJHLJNLVDD-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentBicyclic monoterpenoids
Alternative Parents
Substituents
  • Bornane monoterpenoid
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point115 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.81 g/LALOGPS
logP2.03ALOGPS
logP1.16ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)18.9ChemAxon
pKa (Strongest Basic)-1.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity43.67 m³·mol⁻¹ChemAxon
Polarizability17.9 ųChemAxon
Number of Rings3ChemAxon
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]+131.45431661259
DarkChem[M-H]-126.93431661259
DeepCCS[M-2H]-171.46730932474
DeepCCS[M+Na]+146.80130932474
AllCCS[M+H]+131.932859911
AllCCS[M+H-H2O]+127.732859911
AllCCS[M+NH4]+135.932859911
AllCCS[M+Na]+137.032859911
AllCCS[M-H]-136.132859911
AllCCS[M+Na-2H]-137.032859911
AllCCS[M+HCOO]-138.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
TeresantalolCC12C3CC(CC13)C2(C)CO1751.9Standard polar33892256
TeresantalolCC12C3CC(CC13)C2(C)CO1171.7Standard non polar33892256
TeresantalolCC12C3CC(CC13)C2(C)CO1202.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Teresantalol,1TMS,isomer #1CC1(CO[Si](C)(C)C)C2CC3C(C2)C31C1235.5Semi standard non polar33892256
Teresantalol,1TBDMS,isomer #1CC1(CO[Si](C)(C)C(C)(C)C)C2CC3C(C2)C31C1509.1Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Teresantalol GC-MS (Non-derivatized) - 70eV, Positivesplash10-00e9-2900000000-f94752a392fe2e85ab5f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Teresantalol GC-MS (1 TMS) - 70eV, Positivesplash10-05fr-9640000000-eba48e45c0f576449f8d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Teresantalol 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 - Teresantalol 10V, Positive-QTOFsplash10-0udr-0900000000-d9a8675a2b864e2d29452016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 20V, Positive-QTOFsplash10-000i-0900000000-aebb210a885f7a36ca332016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 40V, Positive-QTOFsplash10-00kr-0900000000-64794e8d7bdd99e472182016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 10V, Negative-QTOFsplash10-0udi-0900000000-3c298e096851b5f5f3c62016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 20V, Negative-QTOFsplash10-0uk9-0900000000-88dbad7744fd23106dfc2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 40V, Negative-QTOFsplash10-05fr-0900000000-c5b2210318f39410e3fa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 10V, Negative-QTOFsplash10-0udi-0900000000-c373c9eea3cebf186f532021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 20V, Negative-QTOFsplash10-0udi-0900000000-c373c9eea3cebf186f532021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 40V, Negative-QTOFsplash10-0udi-0900000000-1d87dec9ac5ee6d8d2132021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 10V, Positive-QTOFsplash10-0udi-0900000000-59feb90e48e96ad0307e2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 20V, Positive-QTOFsplash10-0udi-0900000000-d1d338ea3765b49b41a62021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Teresantalol 40V, Positive-QTOFsplash10-0udi-0900000000-67271f405a7a665d485e2021-09-22Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
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 IDFDB013942
KNApSAcK IDC00011064
Chemspider ID502617
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound578221
PDB IDNot Available
ChEBI IDNot Available
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. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.