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Showing metabocard for Cycloalliin (HMDB0029417)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:30:18 UTC
Update Date2022-03-07 02:52:09 UTC
HMDB IDHMDB0029417
Secondary Accession Numbers
  • HMDB29417
Metabolite Identification
Common NameCycloalliin
DescriptionCycloalliin belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Cycloalliin has been detected, but not quantified in, several different foods, such as welsh onions (Allium fistulosum), onion-family vegetables, garden onions (Allium cepa), green onion, and soft-necked garlics (Allium sativum L. var. sativum). This could make cycloalliin a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Cycloalliin.
Structure
Data?1582753415
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029417 (Cycloalliin)


  Mrv0541 05061304462D          

 11 11  0  0  0  0            999 V2000
    0.7145    2.0625    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
    0.7145    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
   -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 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 11  2  1  0  0  0  0
 11  3  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
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3D MOL for HMDB0029417 (Cycloalliin)

HMDB0029417
     RDKit          3D
Cycloalliin
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.4254    1.2033   -0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    0.3188    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738   -1.1485   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -1.9981    0.5533 S   0  0  0  0  0  4  0  0  0  0  0  0
    0.1884   -3.2586   -0.2062 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.9351    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192    0.4753    0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    0.9591   -0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367    1.4298   -1.4102 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4433    0.8839    0.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0646    0.6548   -0.5309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7013    0.9159   -1.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    2.2436   -0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2951    1.2595    0.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080    0.3913    1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5205   -1.2970   -1.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446   -1.4909    0.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605   -0.8885    1.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1335   -1.3403    0.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279    1.1780    1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700    0.2320    0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450    0.2118   -1.4528 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  1  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
 10 21  1  0
 11 22  1  0
M  END
Download

3D SDF for HMDB0029417 (Cycloalliin)


  Mrv0541 05061304462D          

 11 11  0  0  0  0            999 V2000
    0.7145    2.0625    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
    0.7145    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
   -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 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
  9  6  1  0  0  0  0
 11  2  1  0  0  0  0
 11  3  1  0  0  0  0
 11 10  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029417

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1CS(=O)CC(N1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)

> <INCHI_KEY>
JYMHODZXTIGVPA-UHFFFAOYSA-N

> <FORMULA>
C6H11NO3S

> <MOLECULAR_WEIGHT>
177.221

> <EXACT_MASS>
177.045963913

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
17.068446884592248

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-methyl-1-oxo-1λ⁴-thiomorpholine-3-carboxylic acid

> <ALOGPS_LOGP>
-1.91

> <JCHEM_LOGP>
-3.9961933820674522

> <ALOGPS_LOGS>
-0.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2595480847291571

> <JCHEM_PKA_STRONGEST_BASIC>
7.78928547050312

> <JCHEM_POLAR_SURFACE_AREA>
66.4

> <JCHEM_REFRACTIVITY>
41.8947

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.23e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-methyl-1-oxo-1λ⁴-thiomorpholine-3-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0029417 (Cycloalliin)

HMDB0029417
     RDKit          3D
Cycloalliin
 22 22  0  0  0  0  0  0  0  0999 V2000
   -2.4254    1.2033   -0.4232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375    0.3188    0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5738   -1.1485   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1843   -1.9981    0.5533 S   0  0  0  0  0  4  0  0  0  0  0  0
    0.1884   -3.2586   -0.2062 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -0.9351    0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0192    0.4753    0.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    0.9591   -0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2367    1.4298   -1.4102 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4433    0.8839    0.4406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0646    0.6548   -0.5309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7013    0.9159   -1.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0207    2.2436   -0.4780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2951    1.2595    0.2656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080    0.3913    1.1874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5205   -1.2970   -1.3324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446   -1.4909    0.1858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3605   -0.8885    1.9657 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1335   -1.3403    0.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8279    1.1780    1.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1700    0.2320    0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450    0.2118   -1.4528 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  7 11  1  0
 11  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
 10 21  1  0
 11 22  1  0
M  END
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PDB for HMDB0029417 (Cycloalliin)

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   3.850   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   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  N   UNK     0       0.000   1.540   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0      -1.334  -2.310   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -2.667   0.000   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   11  S   UNK     0       2.667   0.000   0.000  0.00  0.00           S+0
CONECT    1    4                                                            
CONECT    2    4   11                                                       
CONECT    3    5   11                                                       
CONECT    4    1    2    7                                                  
CONECT    5    3    6    7                                                  
CONECT    6    5    8    9                                                  
CONECT    7    4    5                                                       
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10   11                                                            
CONECT   11    2    3   10                                                  
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0029417 (Cycloalliin)

COMPND    HMDB0029417
HETATM    1  C1  UNL     1      -2.425   1.203  -0.423  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.337   0.319   0.081  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.574  -1.149  -0.218  1.00  0.00           C  
HETATM    4  S1  UNL     1      -0.184  -1.998   0.553  1.00  0.00           S  
HETATM    5  O1  UNL     1       0.188  -3.259  -0.206  1.00  0.00           O  
HETATM    6  C4  UNL     1       1.193  -0.935   0.864  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.019   0.475   0.377  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.258   0.959  -0.258  1.00  0.00           C  
HETATM    9  O2  UNL     1       2.237   1.430  -1.410  1.00  0.00           O  
HETATM   10  O3  UNL     1       3.443   0.884   0.441  1.00  0.00           O  
HETATM   11  N1  UNL     1      -0.065   0.655  -0.531  1.00  0.00           N  
HETATM   12  H1  UNL     1      -2.701   0.916  -1.443  1.00  0.00           H  
HETATM   13  H2  UNL     1      -2.021   2.244  -0.478  1.00  0.00           H  
HETATM   14  H3  UNL     1      -3.295   1.260   0.266  1.00  0.00           H  
HETATM   15  H4  UNL     1      -1.208   0.391   1.187  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.521  -1.297  -1.332  1.00  0.00           H  
HETATM   17  H6  UNL     1      -2.545  -1.491   0.186  1.00  0.00           H  
HETATM   18  H7  UNL     1       1.361  -0.888   1.966  1.00  0.00           H  
HETATM   19  H8  UNL     1       2.133  -1.340   0.437  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.828   1.178   1.243  1.00  0.00           H  
HETATM   21  H10 UNL     1       4.170   0.232   0.152  1.00  0.00           H  
HETATM   22  H11 UNL     1       0.045   0.212  -1.453  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3   11   15
CONECT    3    4   16   17
CONECT    4    5    5    6
CONECT    6    7   18   19
CONECT    7    8   11   20
CONECT    8    9    9   10
CONECT   10   21
CONECT   11   22
END
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SMILES for HMDB0029417 (Cycloalliin)

CC1CS(=O)CC(N1)C(O)=O
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INCHI for HMDB0029417 (Cycloalliin)

InChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
3-Methyl-1,4-thiazane-5-carboxylic acid-1-oxideMeSH
CycloallinMeSH
5-Methyl-3-thiomorpholinecarboxylic acid 1-oxide, 9ciHMDB
5-Methyl-1-oxo-1λ⁴-thiomorpholine-3-carboxylateGenerator
CycloalliinMeSH
Chemical FormulaC6H11NO3S
Average Molecular Weight177.221
Monoisotopic Molecular Weight177.045963913
IUPAC Name5-methyl-1-oxo-1λ⁴-thiomorpholine-3-carboxylic acid
Traditional Name5-methyl-1-oxo-1λ⁴-thiomorpholine-3-carboxylic acid
CAS Registry Number455-41-4
SMILES
CC1CS(=O)CC(N1)C(O)=O
InChI Identifier
InChI=1S/C6H11NO3S/c1-4-2-11(10)3-5(7-4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)
InChI KeyJYMHODZXTIGVPA-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids
Alternative Parents
Substituents
  • Alpha-amino acid
  • Thiomorpholine-3-carboxylic acid
  • 1,4-thiazinane
  • Sulfoxide
  • Amino acid
  • Carboxylic acid
  • Secondary aliphatic amine
  • Monocarboxylic acid or derivatives
  • Secondary amine
  • Sulfinyl compound
  • Organoheterocyclic compound
  • Azacycle
  • Carbonyl group
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Organic nitrogen compound
  • Amine
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
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
Water Solubility52.3 g/LALOGPS
logP-1.9ALOGPS
logP-4ChemAxon
logS-0.53ALOGPS
pKa (Strongest Acidic)1.26ChemAxon
pKa (Strongest Basic)7.79ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.4 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity41.89 m³·mol⁻¹ChemAxon
Polarizability17.07 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+137.99931661259
DarkChem[M-H]-133.23331661259
DeepCCS[M+H]+131.30630932474
DeepCCS[M-H]-127.47530932474
DeepCCS[M-2H]-164.7430932474
DeepCCS[M+Na]+139.99330932474
AllCCS[M+H]+138.132859911
AllCCS[M+H-H2O]+133.932859911
AllCCS[M+NH4]+142.032859911
AllCCS[M+Na]+143.132859911
AllCCS[M-H]-133.332859911
AllCCS[M+Na-2H]-134.832859911
AllCCS[M+HCOO]-136.532859911

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, 2022.1.14 minutes32390414
Predicted by Siyang on May 30, 20229.7053 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20227.53 minutes32390414
AjsUoB = Accucore 150 Amide HILIC with 10mM Ammonium Formate, 0.1% Formic Acid333.3 seconds40023050

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CycloalliinCC1CS(=O)CC(N1)C(O)=O3058.4Standard polar33892256
CycloalliinCC1CS(=O)CC(N1)C(O)=O1418.8Standard non polar33892256
CycloalliinCC1CS(=O)CC(N1)C(O)=O1558.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Cycloalliin,1TMS,isomer #1CC1CS(=O)CC(C(=O)O[Si](C)(C)C)N11658.9Semi standard non polar33892256
Cycloalliin,1TMS,isomer #2CC1CS(=O)CC(C(=O)O)N1[Si](C)(C)C1700.9Semi standard non polar33892256
Cycloalliin,2TMS,isomer #1CC1CS(=O)CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C1713.4Semi standard non polar33892256
Cycloalliin,2TMS,isomer #1CC1CS(=O)CC(C(=O)O[Si](C)(C)C)N1[Si](C)(C)C1789.8Standard non polar33892256
Cycloalliin,1TBDMS,isomer #1CC1CS(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N11914.4Semi standard non polar33892256
Cycloalliin,1TBDMS,isomer #2CC1CS(=O)CC(C(=O)O)N1[Si](C)(C)C(C)(C)C2001.4Semi standard non polar33892256
Cycloalliin,2TBDMS,isomer #1CC1CS(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2219.5Semi standard non polar33892256
Cycloalliin,2TBDMS,isomer #1CC1CS(=O)CC(C(=O)O[Si](C)(C)C(C)(C)C)N1[Si](C)(C)C(C)(C)C2341.6Standard non polar33892256
Spectra
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 IDFDB000512
KNApSAcK IDC00055438
Chemspider ID19100864
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound3549960
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1633241
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .