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Showing metabocard for (-)-Butyl L-lactate (HMDB0303916)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 05:37:34 UTC
Update Date2021-09-24 05:37:34 UTC
HMDB IDHMDB0303916
Secondary Accession NumbersNone
Metabolite Identification
Common Name(-)-Butyl L-lactate
Descriptionbutyl (2S)-2-hydroxypropanoate belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Based on a literature review very few articles have been published on butyl (2S)-2-hydroxypropanoate.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0303916 ((-)-Butyl L-lactate)


  Mrv1533007131514012D          

 11 10  0  0  1  0            999 V2000
   -2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9059    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  6  8  1  1  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 10  7  1  0  0  0  0
  6 11  1  1  0  0  0
M  END
Download

3D MOL for HMDB0303916 ((-)-Butyl L-lactate)

HMDB0303916
     RDKit          3D
(-)-Butyl L-lactate
 24 23  0  0  0  0  0  0  0  0999 V2000
    3.3894    0.2991    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697   -1.0734    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3626   -1.1732    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7474   -0.2030   -0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6281   -0.1394   -0.7437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4158    0.1930    0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7893    0.4480    1.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8908    0.2264    0.2067 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3088    1.2733   -0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5004    0.5803    1.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    0.8462   -0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    0.2472    0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6007    0.8600    0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3935   -1.8106    0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1648   -1.3751   -0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005   -2.2317    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -0.8662    1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0892   -0.4876   -1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1697    0.7917   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2845   -0.7434   -0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7762    1.1449   -1.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0964    2.2615   -0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4211    1.1673   -0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8952   -0.2353    1.7988 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
  6  8  1  0
  8  9  1  0
  8 10  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
  8 20  1  6
  9 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
M  END
Download

3D SDF for HMDB0303916 ((-)-Butyl L-lactate)


  Mrv1533007131514012D          

 11 10  0  0  1  0            999 V2000
   -2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3349    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.7145    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9059    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9059    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1914    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  6  8  1  1  0  0  0
  9  7  2  0  0  0  0
 10  5  1  0  0  0  0
 10  7  1  0  0  0  0
  6 11  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0303916

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@@](C)(O)C(=O)OCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1

> <INCHI_KEY>
MRABAEUHTLLEML-LURJTMIESA-N

> <FORMULA>
C7H14O3

> <MOLECULAR_WEIGHT>
146.186

> <EXACT_MASS>
146.094294311

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
16.252217462877827

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
butyl (2S)-2-hydroxypropanoate

> <ALOGPS_LOGP>
0.63

> <JCHEM_LOGP>
0.9979635526666663

> <ALOGPS_LOGS>
-0.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.999429786371088

> <JCHEM_PKA_STRONGEST_BASIC>
-3.673849411441286

> <JCHEM_POLAR_SURFACE_AREA>
46.53

> <JCHEM_REFRACTIVITY>
37.4825

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.84e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
butyl (2S)-2-hydroxypropanoate

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0303916 ((-)-Butyl L-lactate)

HMDB0303916
     RDKit          3D
(-)-Butyl L-lactate
 24 23  0  0  0  0  0  0  0  0999 V2000
    3.3894    0.2991    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697   -1.0734    0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3626   -1.1732    0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7474   -0.2030   -0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6281   -0.1394   -0.7437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4158    0.1930    0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7893    0.4480    1.3973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8908    0.2264    0.2067 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3088    1.2733   -0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5004    0.5803    1.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6437    0.8462   -0.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3375    0.2472    0.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6007    0.8600    0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3935   -1.8106    0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1648   -1.3751   -0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1005   -2.2317    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1380   -0.8662    1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0892   -0.4876   -1.7686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1697    0.7917   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2845   -0.7434   -0.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7762    1.1449   -1.7805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0964    2.2615   -0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4211    1.1673   -0.9482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8952   -0.2353    1.7988 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
  6  8  1  0
  8  9  1  0
  8 10  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
  8 20  1  6
  9 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
M  END
Download

PDB for HMDB0303916 ((-)-Butyl L-lactate)

HEADER    PROTEIN                                 13-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JUL-15         0                                  
HETATM    1  C   UNK     0      -4.977   1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.358   2.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.644   2.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.310   1.334   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.976   2.104   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.025   1.334   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.691   2.104   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       3.025  -0.206   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       1.691   3.644   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.357   1.334   0.000  0.00  0.00           O+0
HETATM   11  H   UNK     0       3.025   2.874   0.000  0.00  0.00           H+0
CONECT    1    3                                                            
CONECT    2    6                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4   10                                                       
CONECT    6    2    7    8   11                                             
CONECT    7    6    9   10                                                  
CONECT    8    6                                                            
CONECT    9    7                                                            
CONECT   10    5    7                                                       
CONECT   11    6                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   20    0
END
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3D PDB for HMDB0303916 ((-)-Butyl L-lactate)

COMPND    HMDB0303916
HETATM    1  C1  UNL     1       3.389   0.299   0.354  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.870  -1.073   0.054  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.363  -1.173   0.214  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.747  -0.203  -0.735  1.00  0.00           C  
HETATM    5  O1  UNL     1      -0.628  -0.139  -0.744  1.00  0.00           O  
HETATM    6  C5  UNL     1      -1.416   0.193   0.345  1.00  0.00           C  
HETATM    7  O2  UNL     1      -0.789   0.448   1.397  1.00  0.00           O  
HETATM    8  C6  UNL     1      -2.891   0.226   0.207  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.309   1.273  -0.819  1.00  0.00           C  
HETATM   10  O3  UNL     1      -3.500   0.580   1.407  1.00  0.00           O  
HETATM   11  H1  UNL     1       3.644   0.846  -0.591  1.00  0.00           H  
HETATM   12  H2  UNL     1       4.337   0.247   0.962  1.00  0.00           H  
HETATM   13  H3  UNL     1       2.601   0.860   0.908  1.00  0.00           H  
HETATM   14  H4  UNL     1       3.393  -1.811   0.715  1.00  0.00           H  
HETATM   15  H5  UNL     1       3.165  -1.375  -0.992  1.00  0.00           H  
HETATM   16  H6  UNL     1       1.100  -2.232   0.011  1.00  0.00           H  
HETATM   17  H7  UNL     1       1.138  -0.866   1.250  1.00  0.00           H  
HETATM   18  H8  UNL     1       1.089  -0.488  -1.769  1.00  0.00           H  
HETATM   19  H9  UNL     1       1.170   0.792  -0.544  1.00  0.00           H  
HETATM   20  H10 UNL     1      -3.285  -0.743  -0.150  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.776   1.145  -1.781  1.00  0.00           H  
HETATM   22  H12 UNL     1      -3.096   2.261  -0.360  1.00  0.00           H  
HETATM   23  H13 UNL     1      -4.421   1.167  -0.948  1.00  0.00           H  
HETATM   24  H14 UNL     1      -3.895  -0.235   1.799  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
CONECT    6    7    7    8
CONECT    8    9   10   20
CONECT    9   21   22   23
CONECT   10   24
END
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SMILES for HMDB0303916 ((-)-Butyl L-lactate)

[H][C@@](C)(O)C(=O)OCCCC
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INCHI for HMDB0303916 ((-)-Butyl L-lactate)

InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Butyl (2S)-2-hydroxypropanoic acidGenerator
(-)-Butyl L-lactic acidGenerator
Chemical FormulaC7H14O3
Average Molecular Weight146.186
Monoisotopic Molecular Weight146.094294311
IUPAC Namebutyl (2S)-2-hydroxypropanoate
Traditional Namebutyl (2S)-2-hydroxypropanoate
CAS Registry NumberNot Available
SMILES
[H][C@@](C)(O)C(=O)OCCCC
InChI Identifier
InChI=1S/C7H14O3/c1-3-4-5-10-7(9)6(2)8/h6,8H,3-5H2,1-2H3/t6-/m0/s1
InChI KeyMRABAEUHTLLEML-LURJTMIESA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassCarboxylic acid derivatives
Direct ParentCarboxylic acid esters
Alternative Parents
Substituents
  • Secondary alcohol
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP0.63ALOGPS
logP1ChemAxon
logS-0.48ALOGPS
pKa (Strongest Acidic)13ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area46.53 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.48 m³·mol⁻¹ChemAxon
Polarizability16.25 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+135.99832859911
AllCCS[M+H-H2O]+132.03932859911
AllCCS[M+Na]+140.74832859911
AllCCS[M+NH4]+139.68532859911
AllCCS[M-H]-133.90632859911
AllCCS[M+Na-2H]-136.33132859911
AllCCS[M+HCOO]-139.04732859911
DeepCCS[M+H]+133.70630932474
DeepCCS[M-H]-131.3130932474
DeepCCS[M-2H]-165.90930932474
DeepCCS[M+Na]+140.14530932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 10V, Positive-QTOFsplash10-0002-7900000000-4f73500fb21389995bc22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 20V, Positive-QTOFsplash10-0a4i-9100000000-a82179999ce698b0f28a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 40V, Positive-QTOFsplash10-0a4i-9000000000-c53741d409f9d93721642016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 10V, Negative-QTOFsplash10-006t-9700000000-4a418d67d17c4fbb8d9d2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 20V, Negative-QTOFsplash10-00di-9000000000-ab8c56caff50f52ef92c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 40V, Negative-QTOFsplash10-00di-9000000000-a9368ecb8053d270775b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 10V, Positive-QTOFsplash10-0a4i-9000000000-cc2b8f5ae02c6ac6f7562021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 20V, Positive-QTOFsplash10-0a4j-9000000000-d4ee7ff7aaeb791b6ae72021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 40V, Positive-QTOFsplash10-0a4l-9000000000-f05acfba1039069b32f12021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 10V, Negative-QTOFsplash10-006t-9600000000-ae5ad2450bf19aa55f182021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 20V, Negative-QTOFsplash10-00dr-9100000000-ec04e01522aafdba4e1b2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (-)-Butyl L-lactate 40V, Negative-QTOFsplash10-006x-9000000000-8928496c10d340a6262a2021-10-21Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDFDB029776
KNApSAcK IDNot Available
Chemspider ID5367489
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
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 ReferencesNot Available