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Showing metabocard for 2-Methylacetophenone (HMDB0032386)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 17:49:32 UTC
Update Date2022-03-07 02:53:20 UTC
HMDB IDHMDB0032386
Secondary Accession Numbers
  • HMDB32386
Metabolite Identification
Common Name2-Methylacetophenone
Description2-Methylacetophenone, also known as 1-(O-tolyl)ethan-1-one or 2-acetyltoluene, belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 2-Methylacetophenone 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 2-Methylacetophenone.
Structure
Data?1588864544
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032386 (2-Methylacetophenone)


  Mrv1652305072017132D          

 10 10  0  0  0  0            999 V2000
   -1.9975   -0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7119    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4265   -0.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4265   -0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7121   -1.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9975   -0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7120    1.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2831    0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2831    1.2148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5686   -0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
Download

3D MOL for HMDB0032386 (2-Methylacetophenone)

HMDB0032386
     RDKit          3D
2-Methylacetophenone
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.6242   -0.8224    0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6108    0.2332    0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0126    1.4114    0.2678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2321   -0.1446    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1476   -1.4663    0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4785   -1.7963   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4319   -0.8194   -0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0390    0.5042   -0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946    0.8292   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2663    2.2472   -0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8572   -1.4312   -0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -0.3982    0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2133   -1.5242    1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016   -2.2196    0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8027   -2.8107   -0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4596   -1.0751   -0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7428    1.2982   -0.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894    2.6212    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1764    2.8906   -0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341    2.4728   -1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END
Download

3D SDF for HMDB0032386 (2-Methylacetophenone)


  Mrv1652305072017132D          

 10 10  0  0  0  0            999 V2000
   -1.9975   -0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7119    0.3897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4265   -0.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4265   -0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7121   -1.2602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9975   -0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7120    1.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2831    0.3898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2831    1.2148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5686   -0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  1  8  1  0  0  0  0
  8 10  1  0  0  0  0
  8  9  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032386

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3

> <INCHI_KEY>
YXWWHNCQZBVZPV-UHFFFAOYSA-N

> <FORMULA>
C9H10O

> <MOLECULAR_WEIGHT>
134.178

> <EXACT_MASS>
134.073164942

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
20

> <JCHEM_AVERAGE_POLARIZABILITY>
15.039300622822541

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-(2-methylphenyl)ethan-1-one

> <ALOGPS_LOGP>
2.08

> <JCHEM_LOGP>
2.0443147240000004

> <ALOGPS_LOGS>
-2.47

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.203515562862865

> <JCHEM_PKA_STRONGEST_BASIC>
-7.39569069765945

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
41.502

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.57e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ethanone, 1-(2-methylphenyl)-

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0032386 (2-Methylacetophenone)

HMDB0032386
     RDKit          3D
2-Methylacetophenone
 20 20  0  0  0  0  0  0  0  0999 V2000
    2.6242   -0.8224    0.5706 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6108    0.2332    0.2876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0126    1.4114    0.2678 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2321   -0.1446    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1476   -1.4663    0.0886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4785   -1.7963   -0.1411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4319   -0.8194   -0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0390    0.5042   -0.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6946    0.8292   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2663    2.2472   -0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8572   -1.4312   -0.3304 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5642   -0.3982    0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2133   -1.5242    1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016   -2.2196    0.2957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8027   -2.8107   -0.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4596   -1.0751   -0.5835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7428    1.2982   -0.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0894    2.6212    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1764    2.8906   -0.4417 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4341    2.4728   -1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  8 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END
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PDB for HMDB0032386 (2-Methylacetophenone)

HEADER    PROTEIN                                 07-MAY-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-MAY-20         0                                  
HETATM    1  C   UNK     0      -3.729  -0.042   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.062   0.727   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -6.396  -0.043   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.396  -1.582   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -5.063  -2.352   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -3.729  -1.582   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -5.062   2.267   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.395   0.728   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.395   2.268   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -1.061  -0.042   0.000  0.00  0.00           C+0
CONECT    1    2    6    8                                                  
CONECT    2    1    3    7                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    1                                                       
CONECT    7    2                                                            
CONECT    8    1   10    9                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0032386 (2-Methylacetophenone)

COMPND    HMDB0032386
HETATM    1  C1  UNL     1       2.624  -0.822   0.571  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.611   0.233   0.288  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.013   1.411   0.268  1.00  0.00           O  
HETATM    4  C3  UNL     1       0.232  -0.145   0.053  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.148  -1.466   0.089  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.479  -1.796  -0.141  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.432  -0.819  -0.406  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.039   0.504  -0.440  1.00  0.00           C  
HETATM    9  C8  UNL     1      -0.695   0.829  -0.207  1.00  0.00           C  
HETATM   10  C9  UNL     1      -0.266   2.247  -0.241  1.00  0.00           C  
HETATM   11  H1  UNL     1       2.857  -1.431  -0.330  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.564  -0.398   0.971  1.00  0.00           H  
HETATM   13  H3  UNL     1       2.213  -1.524   1.335  1.00  0.00           H  
HETATM   14  H4  UNL     1       0.602  -2.220   0.296  1.00  0.00           H  
HETATM   15  H5  UNL     1      -1.803  -2.811  -0.120  1.00  0.00           H  
HETATM   16  H6  UNL     1      -3.460  -1.075  -0.583  1.00  0.00           H  
HETATM   17  H7  UNL     1      -2.743   1.298  -0.641  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.089   2.621   0.746  1.00  0.00           H  
HETATM   19  H9  UNL     1      -1.176   2.891  -0.442  1.00  0.00           H  
HETATM   20  H10 UNL     1       0.434   2.473  -1.064  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3    3    4
CONECT    4    5    5    9
CONECT    5    6   14
CONECT    6    7    7   15
CONECT    7    8   16
CONECT    8    9    9   17
CONECT    9   10
CONECT   10   18   19   20
END
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SMILES for HMDB0032386 (2-Methylacetophenone)

CC(=O)C1=C(C)C=CC=C1
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INCHI for HMDB0032386 (2-Methylacetophenone)

InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1-(2-Methylphenyl)ethan-1-oneChEBI
1-(2-Tolyl)ethanoneChEBI
1-(O-Tolyl)ethan-1-oneChEBI
1-(O-Tolyl)ethanoneChEBI
2'-MethylacetylphenoneChEBI
2-AcetyltolueneChEBI
Methyl 2-methylphenyl ketoneChEBI
Methyl O-tolyl ketoneChEBI
O-AcetyltolueneChEBI
O-MethylacetophenoneChEBI
Ortho-methylacetophenoneChEBI
(O-Tolyl)ethan-1-oneHMDB
1-(2-Methylphenyl)ethanoneHMDB
2'-MethylacetophenoneHMDB
2-Methylphenyl methyl ketoneHMDB
2’-methylacetophenoneHMDB
2-MethylacetophenoneHMDB
Chemical FormulaC9H10O
Average Molecular Weight134.178
Monoisotopic Molecular Weight134.073164942
IUPAC Name1-(2-methylphenyl)ethan-1-one
Traditional Nameethanone, 1-(2-methylphenyl)-
CAS Registry Number577-16-2
SMILES
CC(=O)C1=C(C)C=CC=C1
InChI Identifier
InChI=1S/C9H10O/c1-7-5-3-4-6-9(7)8(2)10/h3-6H,1-2H3
InChI KeyYXWWHNCQZBVZPV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentAlkyl-phenylketones
Alternative Parents
Substituents
  • Alkyl-phenylketone
  • Acetophenone
  • Aryl alkyl ketone
  • Benzoyl
  • Toluene
  • Benzenoid
  • Monocyclic benzene moiety
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Biological role
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point214.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility1123 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP2.125 (est)The Good Scents Company Information System
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.004 g/LALOGPS
logP2.08ALOGPS
logP2.04ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)16.2ChemAxon
pKa (Strongest Basic)-7.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity41.5 m³·mol⁻¹ChemAxon
Polarizability15.04 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
DeepCCS[M+H]+132.64430932474
DeepCCS[M-H]-129.46830932474
DeepCCS[M-2H]-166.41230932474
DeepCCS[M+Na]+141.9430932474
AllCCS[M+H]+127.832859911
AllCCS[M+H-H2O]+123.332859911
AllCCS[M+NH4]+132.132859911
AllCCS[M+Na]+133.332859911
AllCCS[M-H]-126.032859911
AllCCS[M+Na-2H]-127.932859911
AllCCS[M+HCOO]-129.932859911

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Measured using a Waters Acquity ultraperformance liquid chromatography (UPLC) ethylene-bridged hybrid (BEH) C18 column (100 mm × 2.1 mm; 1.7 μmparticle diameter). Predicted by Afia on May 17, 2022. Predicted by Afia on May 17, 2022.5.5 minutes32390414
Predicted by Siyang on May 30, 202213.7766 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20223.18 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid1756.2 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid499.3 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid183.6 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid311.6 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid161.6 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid472.6 seconds40023050
BfG_NTS_RP1 =Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) with Water:ACN and 0.1% Formic Acid606.1 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)131.6 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid1128.9 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid423.1 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid1190.6 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid365.6 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid379.7 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate442.8 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA385.2 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water53.8 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
2-MethylacetophenoneCC(=O)C1=C(C)C=CC=C11648.7Standard polar33892256
2-MethylacetophenoneCC(=O)C1=C(C)C=CC=C11103.1Standard non polar33892256
2-MethylacetophenoneCC(=O)C1=C(C)C=CC=C11167.0Semi standard non polar33892256
Spectra
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB009806
KNApSAcK IDC00051707
Chemspider ID21169901
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound11340
PDB IDNot Available
ChEBI ID145958
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1057601
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. (). EAFUS: Everything Added to Food in the United States.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.