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Showing metabocard for gamma-Terpinene (HMDB0005806)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2007-01-23 13:01:01 UTC
Update Date2022-03-07 02:49:29 UTC
HMDB IDHMDB0005806
Secondary Accession Numbers
  • HMDB05806
Metabolite Identification
Common Namegamma-Terpinene
Descriptiongamma-Terpinene, also known as 1,4-p-menthadiene or crithmene, belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch. Thus, gamma-terpinene is considered to be an isoprenoid. gamma-Terpinene exists in all eukaryotes, ranging from yeast to plants to humans. gamma-Terpinene is a bitter, gasoline, and herbal tasting compound. gamma-Terpinene is found, on average, in the highest concentration within a few different foods, such as cumins (Cuminum cyminum), caraways (Carum carvi), and winter savories (Satureja montana) and in a lower concentration in rosemaries (Rosmarinus officinalis), pot marjorams (Origanum onites), and carrots (Daucus carota ssp. sativus). gamma-Terpinene has also been detected, but not quantified in, several different foods, such as evergreen blackberries (Rubus laciniatus), orange bell peppers (Capsicum annuum), tarragons (Artemisia dracunculus), saffrons (Crocus sativus), and pepper (spice). This could make gamma-terpinene a potential biomarker for the consumption of these foods. gamma-Terpinene is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Based on a literature review a significant number of articles have been published on gamma-Terpinene.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0005806 (gamma-Terpinene)


  Mrv1652309272007332D          

 10 10  0  0  0  0            999 V2000
   -1.1160    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305   -0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -0.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015   -0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    1.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450   -0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
Download

3D MOL for HMDB0005806 (gamma-Terpinene)

HMDB0005806
     RDKit          3D
gamma-Terpinene
 26 26  0  0  0  0  0  0  0  0999 V2000
    3.3889    0.8142    0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653    0.2010    0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647    0.6507   -0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321   -0.0086   -1.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851   -0.4311   -0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716   -0.3847   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6206   -0.8055    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344    1.0497   -0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0505   -0.8699    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -0.9235    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487    1.0700    1.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2013    0.0459    0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    1.7133    0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0799    1.4691   -1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606   -0.8905   -2.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999    0.6635   -2.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519   -0.9941   -1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266   -1.8694    1.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7315   -0.6308    0.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3031   -0.1004    1.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2252    1.3584   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5434    1.0355   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151    1.7504   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835   -1.1940    1.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564   -1.8998    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515   -0.8194    1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 10 26  1  0
M  END
Download

3D SDF for HMDB0005806 (gamma-Terpinene)


  Mrv1652309272007332D          

 10 10  0  0  0  0            999 V2000
   -1.1160    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305   -0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -0.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015   -0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    1.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450   -0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0005806

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)C1=CCC(C)=CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3

> <INCHI_KEY>
YKFLAYDHMOASIY-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.238

> <EXACT_MASS>
136.125200515

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.614568319586297

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene

> <ALOGPS_LOGP>
4.36

> <JCHEM_LOGP>
3.1618789813333334

> <ALOGPS_LOGS>
-2.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
47.5528

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.35e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α terpinene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0005806 (gamma-Terpinene)

HMDB0005806
     RDKit          3D
gamma-Terpinene
 26 26  0  0  0  0  0  0  0  0999 V2000
    3.3889    0.8142    0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653    0.2010    0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647    0.6507   -0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321   -0.0086   -1.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851   -0.4311   -0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716   -0.3847   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6206   -0.8055    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344    1.0497   -0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0505   -0.8699    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -0.9235    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487    1.0700    1.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2013    0.0459    0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    1.7133    0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0799    1.4691   -1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606   -0.8905   -2.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999    0.6635   -2.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519   -0.9941   -1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266   -1.8694    1.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7315   -0.6308    0.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3031   -0.1004    1.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2252    1.3584   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5434    1.0355   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151    1.7504   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835   -1.1940    1.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564   -1.8998    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515   -0.8194    1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 10 26  1  0
M  END
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PDB for HMDB0005806 (gamma-Terpinene)

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0      -2.083   1.623   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.417   0.853   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.417  -0.687   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.083  -1.457   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.749  -0.687   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.749   0.853   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.584   1.623   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.584   3.163   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.918   0.853   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.751  -1.457   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    3                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0005806 (gamma-Terpinene)

COMPND    HMDB0005806
HETATM    1  C1  UNL     1       3.389   0.814   0.761  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.165   0.201   0.192  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.665   0.651  -0.928  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.432  -0.009  -1.449  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.485  -0.431  -0.372  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.972  -0.385  -0.509  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.621  -0.806   0.788  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.434   1.050  -0.774  1.00  0.00           C  
HETATM    9  C9  UNL     1       0.051  -0.870   0.764  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.533  -0.923   0.920  1.00  0.00           C  
HETATM   11  H1  UNL     1       3.249   1.070   1.849  1.00  0.00           H  
HETATM   12  H2  UNL     1       4.201   0.046   0.667  1.00  0.00           H  
HETATM   13  H3  UNL     1       3.659   1.713   0.203  1.00  0.00           H  
HETATM   14  H4  UNL     1       2.080   1.469  -1.507  1.00  0.00           H  
HETATM   15  H5  UNL     1       0.761  -0.890  -2.051  1.00  0.00           H  
HETATM   16  H6  UNL     1      -0.100   0.663  -2.174  1.00  0.00           H  
HETATM   17  H7  UNL     1      -2.352  -0.994  -1.333  1.00  0.00           H  
HETATM   18  H8  UNL     1      -2.427  -1.869   1.043  1.00  0.00           H  
HETATM   19  H9  UNL     1      -3.731  -0.631   0.683  1.00  0.00           H  
HETATM   20  H10 UNL     1      -2.303  -0.100   1.584  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.225   1.358  -1.805  1.00  0.00           H  
HETATM   22  H12 UNL     1      -3.543   1.036  -0.610  1.00  0.00           H  
HETATM   23  H13 UNL     1      -2.015   1.750  -0.026  1.00  0.00           H  
HETATM   24  H14 UNL     1      -0.583  -1.194   1.591  1.00  0.00           H  
HETATM   25  H15 UNL     1       1.856  -1.900   0.502  1.00  0.00           H  
HETATM   26  H16 UNL     1       1.752  -0.819   1.992  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3    3   10
CONECT    3    4   14
CONECT    4    5   15   16
CONECT    5    6    9    9
CONECT    6    7    8   17
CONECT    7   18   19   20
CONECT    8   21   22   23
CONECT    9   10   24
CONECT   10   25   26
END
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SMILES for HMDB0005806 (gamma-Terpinene)

CC(C)C1=CCC(C)=CC1
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INCHI for HMDB0005806 (gamma-Terpinene)

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1,4-p-MenthadieneChEBI
1-Isopropyl-4-methyl-1,4-cyclohexadieneChEBI
1-Isopropyl-4-methylcyclohexa-1,4-dieneChEBI
1-Methyl-4-(1-methylethyl)-1,4-cyclohexadieneChEBI
1-Methyl-4-propan-2-ylcyclohexa-1,4-dieneChEBI
4-Isopropyl-1-methyl-1,4-cyclohexadieneChEBI
CrithmeneChEBI
MosleneChEBI
p-Mentha-1,4-dieneChEBI
g-TerpineneGenerator
Γ-terpineneGenerator
1-Methyl-4-(propan-2-yl)cyclohexa-1,4-dieneHMDB
alpha TerpineneHMDB
gamma TerpineneHMDB
gamma-TerpinenHMDB
TerpineneHMDB
1-Methyl-4-isopropyl-1,4-cyclohexadienePhytoBank
gamma-TerpinenePhytoBank
γ-TerpinenPhytoBank
Chemical FormulaC10H16
Average Molecular Weight136.238
Monoisotopic Molecular Weight136.125200515
IUPAC Name1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
Traditional Nameα terpinene
CAS Registry Number99-85-4
SMILES
CC(C)C1=CCC(C)=CC1
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
InChI KeyYKFLAYDHMOASIY-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassBranched unsaturated hydrocarbons
Direct ParentBranched unsaturated hydrocarbons
Alternative Parents
Substituents
  • Branched unsaturated hydrocarbon
  • Cyclic olefin
  • Unsaturated aliphatic hydrocarbon
  • Olefin
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point-10 °CNot Available
Boiling Point181.00 to 183.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility0.0087 mg/mL at 22 °CNot Available
LogP4.50LI,J & PERDUE,EM (1995)
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.54 g/LALOGPS
logP4.36ALOGPS
logP3.16ChemAxon
logS-2.4ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity47.55 m³·mol⁻¹ChemAxon
Polarizability17.61 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]+131.01931661259
DarkChem[M-H]-127.61931661259
DeepCCS[M+H]+135.91330932474
DeepCCS[M-H]-132.73930932474
DeepCCS[M-2H]-169.80130932474
DeepCCS[M+Na]+145.14530932474
AllCCS[M+H]+126.632859911
AllCCS[M+H-H2O]+121.932859911
AllCCS[M+NH4]+130.932859911
AllCCS[M+Na]+132.232859911
AllCCS[M-H]-132.432859911
AllCCS[M+Na-2H]-134.232859911
AllCCS[M+HCOO]-136.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
gamma-TerpineneCC(C)C1=CCC(C)=CC11221.4Standard polar33892256
gamma-TerpineneCC(C)C1=CCC(C)=CC11022.7Standard non polar33892256
gamma-TerpineneCC(C)C1=CCC(C)=CC11030.8Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - gamma-Terpinene EI-B (Non-derivatized)splash10-0006-9200000000-b05d52aa0731550051f62017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Terpinene EI-B (Non-derivatized)splash10-0006-9400000000-a5cb265912cd3b36ec3f2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Terpinene EI-B (Non-derivatized)splash10-0006-9500000000-2b0e829aa7638afa325e2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Terpinene EI-B (Non-derivatized)splash10-0006-9200000000-b05d52aa0731550051f62018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Terpinene EI-B (Non-derivatized)splash10-0006-9400000000-a5cb265912cd3b36ec3f2018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Terpinene EI-B (Non-derivatized)splash10-0006-9500000000-2b0e829aa7638afa325e2018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - gamma-Terpinene GC-EI-Q (Non-derivatized)splash10-0006-9200000000-85beacebb887bcf224462020-07-08HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Terpinene GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9300000000-78ed493eae24d7cd72472016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - gamma-Terpinene GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-0006-9300000000-97923633c0b05f03274f2014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Terpinene Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-0019-8900000000-4f8f18604be188d356c82012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Terpinene Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-015c-9000000000-7cd3ebd6c5315af11ec52012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Terpinene Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-002f-9000000000-796d72dfa199c02320d22012-07-25HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Terpinene EI-B (HITACHI M-80B) , Positive-QTOFsplash10-0006-9200000000-ddf6ab2c599f6a3a0e042012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Terpinene EI-B (HITACHI M-80) , Positive-QTOFsplash10-0006-9400000000-701e197e734bd825ea092012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Terpinene EI-B (HITACHI M-80) , Positive-QTOFsplash10-0006-9500000000-156890c59245ff11b54d2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Terpinene LC-Q-TOF/MS 25V, negative-QTOFsplash10-000i-0900000000-98cfc7dd6d4b6ccbba0b2020-07-21HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - gamma-Terpinene LC-Q-TOF/MS 30V, negative-QTOFsplash10-0019-2900000000-898e1880d94396f2ba762020-07-21HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 10V, Positive-QTOFsplash10-000i-2900000000-7132f17a85333e7849562015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 20V, Positive-QTOFsplash10-000i-9700000000-f4bee8ac3721685bb6062015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 40V, Positive-QTOFsplash10-1000-9100000000-dbeffc46ec6acbacb6ef2015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 10V, Negative-QTOFsplash10-000i-0900000000-545d284bbb3189d5973d2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 20V, Negative-QTOFsplash10-000i-0900000000-838b737755ef4340d8a22015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 40V, Negative-QTOFsplash10-00ku-6900000000-6351b5255caae6105b152015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 10V, Positive-QTOFsplash10-000m-9500000000-380389192d752a66b55d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 20V, Positive-QTOFsplash10-0036-9000000000-6d366a78065dacee15ff2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 40V, Positive-QTOFsplash10-00mo-9000000000-ce8dcdbeb3aaa0e182052021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 10V, Negative-QTOFsplash10-000i-0900000000-a013b4ae27f975ab56212021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 20V, Negative-QTOFsplash10-000i-0900000000-a013b4ae27f975ab56212021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - gamma-Terpinene 40V, Negative-QTOFsplash10-00kf-9600000000-571ac1102d9ec6dc48522021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biospecimen Locations
  • Feces
  • Saliva
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
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
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Nonalcoholic fatty liver disease (NAFLD)		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Diarrhea-predominant IBS		 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothBreast cancer details
Associated Disorders and Diseases
Disease References
Nonalcoholic fatty liver disease
  1. Raman M, Ahmed I, Gillevet PM, Probert CS, Ratcliffe NM, Smith S, Greenwood R, Sikaroodi M, Lam V, Crotty P, Bailey J, Myers RP, Rioux KP: Fecal microbiome and volatile organic compound metabolome in obese humans with nonalcoholic fatty liver disease. Clin Gastroenterol Hepatol. 2013 Jul;11(7):868-75.e1-3. doi: 10.1016/j.cgh.2013.02.015. Epub 2013 Feb 27. [PubMed:23454028 ]
Diarrhoea predominant irritable bowel syndrome
  1. Ahmed I, Greenwood R, Costello Bde L, Ratcliffe NM, Probert CS: An investigation of fecal volatile organic metabolites in irritable bowel syndrome. PLoS One. 2013;8(3):e58204. doi: 10.1371/journal.pone.0058204. Epub 2013 Mar 13. [PubMed:23516449 ]
Perillyl alcohol administration for cancer treatment
  1. Silva CL, Passos M, Camara JS: Solid phase microextraction, mass spectrometry and metabolomic approaches for detection of potential urinary cancer biomarkers--a powerful strategy for breast cancer diagnosis. Talanta. 2012 Jan 30;89:360-8. doi: 10.1016/j.talanta.2011.12.041. Epub 2011 Dec 22. [PubMed:22284503 ]
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB015968
KNApSAcK IDC00003061
Chemspider ID7181
KEGG Compound IDC09900
BioCyc IDCPD-8736
BiGG IDNot Available
Wikipedia LinkTerpinene
METLIN IDNot Available
PubChem Compound7461
PDB IDNot Available
ChEBI ID10577
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1017031
References
Synthesis ReferenceRichter, Friedrich; Wolff, Werner; Presting, W. g-Terpinene. II. Berichte der Deutschen Chemischen Gesellschaft [Abteilung] B: Abhandlungen (1930), 63B 1714-21. CODEN: BDCBAD ISSN:0365-9488. CAN 24:46537 AN 1930:46537
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available