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Showing metabocard for Sylveterpinolene (HMDB0037046)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 22:17:23 UTC
Update Date2022-03-07 02:55:10 UTC
HMDB IDHMDB0037046
Secondary Accession Numbers
  • HMDB37046
Metabolite Identification
Common NameSylveterpinolene
DescriptionSylveterpinolene belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain. Based on a literature review a small amount of articles have been published on Sylveterpinolene.
Structure
Data?1563862968
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0037046 (Sylveterpinolene)


  Mrv0541 05061309322D          

 10 10  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  8  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
Download

3D MOL for HMDB0037046 (Sylveterpinolene)

HMDB0037046
     RDKit          3D
Sylveterpinolene
 26 26  0  0  0  0  0  0  0  0999 V2000
   -2.9093    1.4685    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7983    0.4695    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5352    0.8590    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5881   -0.0536   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274    0.3460   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9339   -0.6131   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693    1.8066   -0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3231   -1.4995    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102   -1.8234    0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1279   -0.9483    0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5194    1.4401   -0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914    1.2330    1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    2.4917    0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581    1.9326   -0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066   -1.6282   -0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4180   -0.6339    0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170   -0.3303   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1409    1.9158   -0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3733    2.2346   -1.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    2.2689    0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0986   -1.9207    0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4386   -2.0073   -0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299   -2.8880    0.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292   -1.7613    1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4018   -1.2893   -0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9888   -1.0695    0.9157 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  2  3
  5  6  1  0
  5  7  1  0
  4  8  1  0
  8  9  1  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
  6 15  1  0
  6 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
  9 23  1  0
  9 24  1  0
 10 25  1  0
 10 26  1  0
M  END
Download

3D SDF for HMDB0037046 (Sylveterpinolene)


  Mrv0541 05061309322D          

 10 10  0  0  0  0            999 V2000
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  8  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
  9  5  1  0  0  0  0
  9  7  2  0  0  0  0
 10  6  1  0  0  0  0
 10  7  1  0  0  0  0
 10  8  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0037046

> <DATABASE_NAME>
hmdb

> <SMILES>
CC(C)=C1CCCC(C)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h7H,4-6H2,1-3H3

> <INCHI_KEY>
BXZMJUJBUSHRMV-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
17.69678474676355

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-3-(propan-2-ylidene)cyclohex-1-ene

> <ALOGPS_LOGP>
4.06

> <JCHEM_LOGP>
3.118221156666667

> <ALOGPS_LOGS>
-2.05

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
47.2862

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.20e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-methyl-3-(propan-2-ylidene)cyclohex-1-ene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0037046 (Sylveterpinolene)

HMDB0037046
     RDKit          3D
Sylveterpinolene
 26 26  0  0  0  0  0  0  0  0999 V2000
   -2.9093    1.4685    0.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7983    0.4695    0.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5352    0.8590    0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5881   -0.0536   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8274    0.3460   -0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9339   -0.6131   -0.2706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1693    1.8066   -0.3752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3231   -1.4995    0.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0102   -1.8234    0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1279   -0.9483    0.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5194    1.4401   -0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914    1.2330    1.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4414    2.4917    0.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3581    1.9326   -0.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6066   -1.6282   -0.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4180   -0.6339    0.7412 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7170   -0.3303   -1.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1409    1.9158   -0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3733    2.2346   -1.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1059    2.2689    0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0986   -1.9207    0.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4386   -2.0073   -0.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299   -2.8880    0.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9292   -1.7613    1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4018   -1.2893   -0.8088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9888   -1.0695    0.9157 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  2  3
  5  6  1  0
  5  7  1  0
  4  8  1  0
  8  9  1  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
  6 15  1  0
  6 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
  9 23  1  0
  9 24  1  0
 10 25  1  0
 10 26  1  0
M  END
Download

PDB for HMDB0037046 (Sylveterpinolene)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
CONECT    1    8                                                            
CONECT    2    8                                                            
CONECT    3    9                                                            
CONECT    4    5    6                                                       
CONECT    5    4    9                                                       
CONECT    6    4   10                                                       
CONECT    7    9   10                                                       
CONECT    8    1    2   10                                                  
CONECT    9    3    5    7                                                  
CONECT   10    6    7    8                                                  
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0037046 (Sylveterpinolene)

COMPND    HMDB0037046
HETATM    1  C1  UNL     1      -2.909   1.469   0.204  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.798   0.470   0.147  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.535   0.859   0.030  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.588  -0.054  -0.032  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.827   0.346  -0.215  1.00  0.00           C  
HETATM    6  C6  UNL     1       2.934  -0.613  -0.271  1.00  0.00           C  
HETATM    7  C7  UNL     1       2.169   1.807  -0.375  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.323  -1.499   0.118  1.00  0.00           C  
HETATM    9  C9  UNL     1      -1.010  -1.823   0.696  1.00  0.00           C  
HETATM   10  C10 UNL     1      -2.128  -0.948   0.221  1.00  0.00           C  
HETATM   11  H1  UNL     1      -3.519   1.440  -0.715  1.00  0.00           H  
HETATM   12  H2  UNL     1      -3.491   1.233   1.126  1.00  0.00           H  
HETATM   13  H3  UNL     1      -2.441   2.492   0.293  1.00  0.00           H  
HETATM   14  H4  UNL     1      -0.358   1.933  -0.021  1.00  0.00           H  
HETATM   15  H5  UNL     1       2.607  -1.628  -0.519  1.00  0.00           H  
HETATM   16  H6  UNL     1       3.418  -0.634   0.741  1.00  0.00           H  
HETATM   17  H7  UNL     1       3.717  -0.330  -1.005  1.00  0.00           H  
HETATM   18  H8  UNL     1       3.141   1.916  -0.866  1.00  0.00           H  
HETATM   19  H9  UNL     1       1.373   2.235  -1.055  1.00  0.00           H  
HETATM   20  H10 UNL     1       2.106   2.269   0.616  1.00  0.00           H  
HETATM   21  H11 UNL     1       1.099  -1.921   0.824  1.00  0.00           H  
HETATM   22  H12 UNL     1       0.439  -2.007  -0.885  1.00  0.00           H  
HETATM   23  H13 UNL     1      -1.230  -2.888   0.473  1.00  0.00           H  
HETATM   24  H14 UNL     1      -0.929  -1.761   1.810  1.00  0.00           H  
HETATM   25  H15 UNL     1      -2.402  -1.289  -0.809  1.00  0.00           H  
HETATM   26  H16 UNL     1      -2.989  -1.069   0.916  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3    3   10
CONECT    3    4   14
CONECT    4    5    5    8
CONECT    5    6    7
CONECT    6   15   16   17
CONECT    7   18   19   20
CONECT    8    9   21   22
CONECT    9   10   23   24
CONECT   10   25   26
END
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SMILES for HMDB0037046 (Sylveterpinolene)

CC(C)=C1CCCC(C)=C1
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INCHI for HMDB0037046 (Sylveterpinolene)

InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h7H,4-6H2,1-3H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1-Methyl-3-(1-methylethylidene)cyclohexene, 9ciHMDB
Chemical FormulaC10H16
Average Molecular Weight136.234
Monoisotopic Molecular Weight136.125200512
IUPAC Name1-methyl-3-(propan-2-ylidene)cyclohex-1-ene
Traditional Name1-methyl-3-(propan-2-ylidene)cyclohex-1-ene
CAS Registry Number17092-80-7
SMILES
CC(C)=C1CCCC(C)=C1
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-5-9(3)7-10/h7H,4-6H2,1-3H3
InChI KeyBXZMJUJBUSHRMV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as monocyclic monoterpenoids. These are monoterpenoids containing 1 ring in the isoprene chain.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentMonocyclic monoterpenoids
Alternative Parents
Substituents
  • Monocyclic monoterpenoid
  • Branched unsaturated hydrocarbon
  • Cycloalkene
  • Cyclic olefin
  • Unsaturated aliphatic hydrocarbon
  • Unsaturated hydrocarbon
  • Olefin
  • Hydrocarbon
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.72 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility1.2 g/LALOGPS
logP4.06ALOGPS
logP3.12ChemAxon
logS-2ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity47.29 m³·mol⁻¹ChemAxon
Polarizability17.7 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]+134.85931661259
DarkChem[M-H]-128.49731661259
DeepCCS[M+H]+133.84730932474
DeepCCS[M-H]-130.01730932474
DeepCCS[M-2H]-167.30530932474
DeepCCS[M+Na]+142.84430932474
AllCCS[M+H]+127.332859911
AllCCS[M+H-H2O]+122.732859911
AllCCS[M+NH4]+131.632859911
AllCCS[M+Na]+132.932859911
AllCCS[M-H]-132.232859911
AllCCS[M+Na-2H]-134.132859911
AllCCS[M+HCOO]-136.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
SylveterpinoleneCC(C)=C1CCCC(C)=C11293.8Standard polar33892256
SylveterpinoleneCC(C)=C1CCCC(C)=C11048.8Standard non polar33892256
SylveterpinoleneCC(C)=C1CCCC(C)=C11102.5Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Sylveterpinolene GC-MS (Non-derivatized) - 70eV, Positivesplash10-00dl-9700000000-92d3bc5f1a52637830572017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sylveterpinolene GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Sylveterpinolene 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 - Sylveterpinolene 10V, Positive-QTOFsplash10-000i-3900000000-d58a4df07c36f0bc44312016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 20V, Positive-QTOFsplash10-000m-9400000000-255fbe98b8727c1b49702016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 40V, Positive-QTOFsplash10-0gb9-9100000000-56f9cfd1ca69c52647532016-06-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 10V, Negative-QTOFsplash10-000i-0900000000-d918dc559f5d084cbad22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 20V, Negative-QTOFsplash10-000i-1900000000-52004630f75fd6a6ca472016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 40V, Negative-QTOFsplash10-014u-7900000000-7852cdff40a2fd49f5b12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 10V, Positive-QTOFsplash10-0002-9100000000-849b20a2ffb80bfee8bc2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 20V, Positive-QTOFsplash10-052g-9100000000-0df03c808a99272b89062021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 40V, Positive-QTOFsplash10-0006-9000000000-06093803f61cf43ab4852021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 10V, Negative-QTOFsplash10-000i-0900000000-a013b4ae27f975ab56212021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 20V, Negative-QTOFsplash10-000i-0900000000-a013b4ae27f975ab56212021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sylveterpinolene 40V, Negative-QTOFsplash10-015c-5900000000-0bd82c6a23226708ae0e2021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • 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 IDFDB016028
KNApSAcK IDC00010969
Chemspider ID457117
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound524200
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1858921
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.