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Showing metabocard for N-hydroxycadaverine (HMDB0304426)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 09:41:33 UTC
Update Date2021-09-24 09:41:33 UTC
HMDB IDHMDB0304426
Secondary Accession NumbersNone
Metabolite Identification
Common NameN-hydroxycadaverine
DescriptionN-hydroxycadaverine is also known as N-hydroxypentane-1,5-diamine or 1-amino-5-hydroxyaminopentane. N-hydroxycadaverine is soluble (in water) and an extremely weak acidic compound (based on its pKa). N-hydroxycadaverine can be found in a number of food items such as pepper (spice), pistachio, radish (variety), and tinda, which makes N-hydroxycadaverine a potential biomarker for the consumption of these food products.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0304426 (N-hydroxycadaverine)


  Mrv1533007131517152D          

  8  7  0  0  0  0            999 V2000
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
M  CHG  1   6   1
M  END
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3D MOL for HMDB0304426 (N-hydroxycadaverine)

HMDB0304426
     RDKit          3D
N-hydroxycadaverine
 23 22  0  0  0  0  0  0  0  0999 V2000
    3.6392    0.7840    0.0770 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.5221    0.1237    0.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2636    0.3805   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0598   -0.2872    0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1315    0.0139   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4087   -0.5952    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4633   -0.2020   -0.7352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6054   -0.7560   -0.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3601    1.7293   -0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0521    0.2345   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3664    0.9888    0.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3757    0.4561    1.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660   -0.9645    0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4503    0.0262   -1.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1064    1.4658   -0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821    0.1235    1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2574   -1.3970    0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340   -0.4210   -1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086    1.0972   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6698   -0.2854    1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3607   -1.7001    0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5796    0.8434   -0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7758   -1.6586   -0.6566 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  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
M  CHG  1   1   1
M  END
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3D SDF for HMDB0304426 (N-hydroxycadaverine)


  Mrv1533007131517152D          

  8  7  0  0  0  0            999 V2000
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
M  CHG  1   6   1
M  END
> <DATABASE_ID>
HMDB0304426

> <DATABASE_NAME>
hmdb

> <SMILES>
[NH3+]CCCCCNO

> <INCHI_IDENTIFIER>
InChI=1S/C5H14N2O/c6-4-2-1-3-5-7-8/h7-8H,1-6H2/p+1

> <INCHI_KEY>
LXKZVBUBAAGCLE-UHFFFAOYSA-O

> <FORMULA>
C5H15N2O

> <MOLECULAR_WEIGHT>
119.187

> <EXACT_MASS>
119.117889531

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
14.339951695921279

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N-(5-azaniumylpentyl)hydroxylamine

> <ALOGPS_LOGP>
-2.23

> <JCHEM_LOGP>
-0.291913047666667

> <ALOGPS_LOGS>
-0.60

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.107060278385507

> <JCHEM_PKA_STRONGEST_BASIC>
10.205476029982146

> <JCHEM_POLAR_SURFACE_AREA>
59.900000000000006

> <JCHEM_REFRACTIVITY>
55.5298

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.84e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-(5-ammoniopentyl)hydroxylamine

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0304426 (N-hydroxycadaverine)

HMDB0304426
     RDKit          3D
N-hydroxycadaverine
 23 22  0  0  0  0  0  0  0  0999 V2000
    3.6392    0.7840    0.0770 N   0  0  0  0  0  4  0  0  0  0  0  0
    2.5221    0.1237    0.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2636    0.3805   -0.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0598   -0.2872    0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1315    0.0139   -0.3033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4087   -0.5952    0.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4633   -0.2020   -0.7352 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6054   -0.7560   -0.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3601    1.7293   -0.3188 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0521    0.2345   -0.6854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3664    0.9888    0.8175 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3757    0.4561    1.7576 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660   -0.9645    0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4503    0.0262   -1.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1064    1.4658   -0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0821    0.1235    1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2574   -1.3970    0.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9340   -0.4210   -1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2086    1.0972   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6698   -0.2854    1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3607   -1.7001    0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5796    0.8434   -0.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7758   -1.6586   -0.6566 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  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
M  CHG  1   1   1
M  END
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PDB for HMDB0304426 (N-hydroxycadaverine)

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       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       1.953   2.667   0.000  0.00  0.00           N+1
HETATM    7  N   UNK     0       9.955   2.667   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    4                                                       
CONECT    3    1    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3    7                                                       
CONECT    6    4                                                            
CONECT    7    5    8                                                       
CONECT    8    7                                                            
MASTER        0    0    0    0    0    0    0    0    8    0   14    0
END
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3D PDB for HMDB0304426 (N-hydroxycadaverine)

COMPND    HMDB0304426
HETATM    1  N1  UNL     1       3.639   0.784   0.077  1.00  0.00           N1+
HETATM    2  C1  UNL     1       2.522   0.124   0.725  1.00  0.00           C  
HETATM    3  C2  UNL     1       1.264   0.381  -0.082  1.00  0.00           C  
HETATM    4  C3  UNL     1       0.060  -0.287   0.549  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.131   0.014  -0.303  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.409  -0.595   0.213  1.00  0.00           C  
HETATM    7  N2  UNL     1      -3.463  -0.202  -0.735  1.00  0.00           N  
HETATM    8  O1  UNL     1      -4.605  -0.756  -0.259  1.00  0.00           O  
HETATM    9  H1  UNL     1       3.360   1.729  -0.319  1.00  0.00           H  
HETATM   10  H2  UNL     1       4.052   0.235  -0.685  1.00  0.00           H  
HETATM   11  H3  UNL     1       4.366   0.989   0.817  1.00  0.00           H  
HETATM   12  H4  UNL     1       2.376   0.456   1.758  1.00  0.00           H  
HETATM   13  H5  UNL     1       2.766  -0.965   0.761  1.00  0.00           H  
HETATM   14  H6  UNL     1       1.450   0.026  -1.107  1.00  0.00           H  
HETATM   15  H7  UNL     1       1.106   1.466  -0.132  1.00  0.00           H  
HETATM   16  H8  UNL     1      -0.082   0.124   1.563  1.00  0.00           H  
HETATM   17  H9  UNL     1       0.257  -1.397   0.603  1.00  0.00           H  
HETATM   18  H10 UNL     1      -0.934  -0.421  -1.313  1.00  0.00           H  
HETATM   19  H11 UNL     1      -1.209   1.097  -0.442  1.00  0.00           H  
HETATM   20  H12 UNL     1      -2.670  -0.285   1.223  1.00  0.00           H  
HETATM   21  H13 UNL     1      -2.361  -1.700   0.149  1.00  0.00           H  
HETATM   22  H14 UNL     1      -3.580   0.843  -0.591  1.00  0.00           H  
HETATM   23  H15 UNL     1      -4.776  -1.659  -0.657  1.00  0.00           H  
CONECT    1    2    9   10   11
CONECT    2    3   12   13
CONECT    3    4   14   15
CONECT    4    5   16   17
CONECT    5    6   18   19
CONECT    6    7   20   21
CONECT    7    8   22
CONECT    8   23
END
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SMILES for HMDB0304426 (N-hydroxycadaverine)

[NH3+]CCCCCNO
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INCHI for HMDB0304426 (N-hydroxycadaverine)

InChI=1S/C5H14N2O/c6-4-2-1-3-5-7-8/h7-8H,1-6H2/p+1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
N-Hydroxypentane-1,5-diamineMetaCyc
1-amino-5-HydroxyaminopentaneMetaCyc
Chemical FormulaC5H15N2O
Average Molecular Weight119.187
Monoisotopic Molecular Weight119.117889531
IUPAC NameN-(5-azaniumylpentyl)hydroxylamine
Traditional NameN-(5-ammoniopentyl)hydroxylamine
CAS Registry NumberNot Available
SMILES
[NH3+]CCCCCNO
InChI Identifier
InChI=1S/C5H14N2O/c6-4-2-1-3-5-7-8/h7-8H,1-6H2/p+1
InChI KeyLXKZVBUBAAGCLE-UHFFFAOYSA-O
Chemical Taxonomy
Description Belongs to the class of organic compounds known as n-organohydroxylamines. These are organic compounds comprising the hydroxylamine functional group, with the general structure R1ON(R2)R3 (R1,R3=H, organyl; R2 = organyl).
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassN-organohydroxylamines
Direct ParentN-organohydroxylamines
Alternative Parents
Substituents
  • N-organohydroxylamine
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Primary aliphatic amine
  • Amine
  • Organic cation
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
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
logP-2.2ALOGPS
logP-0.29ChemAxon
logS-0.6ALOGPS
pKa (Strongest Acidic)16.11ChemAxon
pKa (Strongest Basic)10.21ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area59.9 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity55.53 m³·mol⁻¹ChemAxon
Polarizability14.34 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]+124.44632859911
AllCCS[M+H-H2O]+120.32132859911
AllCCS[M+Na]+129.432859911
AllCCS[M+NH4]+128.29132859911
AllCCS[M-H]-126.63332859911
AllCCS[M+Na-2H]-129.79832859911
AllCCS[M+HCOO]-133.31632859911
DeepCCS[M+H]+123.57530932474
DeepCCS[M-H]-121.04830932474
DeepCCS[M-2H]-157.1430932474
DeepCCS[M+Na]+132.35730932474

Predicted Retention Times

Underivatized

Chromatographic MethodRetention TimeReference
Predicted by Siyang on May 30, 20228.8594 minutes33406817
Predicted by Siyang using ReTip algorithm on June 8, 20226.1 minutes32390414
Fem_Long = Waters ACQUITY UPLC HSS T3 C18 with Water:MeOH and 0.1% Formic Acid517.4 seconds40023050
Fem_Lipids = Ascentis Express C18 with (60:40 water:ACN):(90:10 IPA:ACN) and 10mM NH4COOH + 0.1% Formic Acid280.9 seconds40023050
Life_Old = Waters ACQUITY UPLC BEH C18 with Water:(20:80 acetone:ACN) and 0.1% Formic Acid90.3 seconds40023050
Life_New = RP Waters ACQUITY UPLC HSS T3 C18 with Water:(30:70 MeOH:ACN) and 0.1% Formic Acid174.2 seconds40023050
RIKEN = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid73.9 seconds40023050
Eawag_XBridgeC18 = XBridge C18 3.5u 2.1x50 mm with Water:MeOH and 0.1% Formic Acid246.9 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 Acid274.8 seconds40023050
HILIC_BDD_2 = Merck SeQuant ZIC-HILIC with ACN(0.1% formic acid):water(16 mM ammonium formate)707.6 seconds40023050
UniToyama_Atlantis = RP Waters Atlantis T3 (2.1 x 150 mm, 5 um) with ACN:Water and 0.1% Formic Acid632.0 seconds40023050
BDD_C18 = Hypersil Gold 1.9µm C18 with Water:ACN and 0.1% Formic Acid140.6 seconds40023050
UFZ_Phenomenex = Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex with Water:MeOH and 0.1% Formic Acid878.2 seconds40023050
SNU_RIKEN_POS = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid172.1 seconds40023050
RPMMFDA = Waters ACQUITY UPLC BEH C18 with Water:ACN and 0.1% Formic Acid206.3 seconds40023050
MTBLS87 = Merck SeQuant ZIC-pHILIC column with ACN:Water and :ammonium carbonate780.7 seconds40023050
KI_GIAR_zic_HILIC_pH2_7 = Merck SeQuant ZIC-HILIC with ACN:Water and 0.1% FA414.0 seconds40023050
Meister zic-pHILIC pH9.3 = Merck SeQuant ZIC-pHILIC column with ACN:Water 5mM NH4Ac pH9.3 and 5mM ammonium acetate in water211.1 seconds40023050

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
N-hydroxycadaverine,1TMS,isomer #1C[Si](C)(C)N(O)CCCCC[NH3+]1331.4Semi standard non polar33892256
N-hydroxycadaverine,1TMS,isomer #1C[Si](C)(C)N(O)CCCCC[NH3+]1261.9Standard non polar33892256
N-hydroxycadaverine,1TMS,isomer #1C[Si](C)(C)N(O)CCCCC[NH3+]1762.9Standard polar33892256
N-hydroxycadaverine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(O)CCCCC[NH3+]1563.6Semi standard non polar33892256
N-hydroxycadaverine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(O)CCCCC[NH3+]1482.1Standard non polar33892256
N-hydroxycadaverine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(O)CCCCC[NH3+]1846.0Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-hydroxycadaverine 10V, Positive-QTOFsplash10-0gb9-4900000000-9db5d89247a8059787862019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-hydroxycadaverine 20V, Positive-QTOFsplash10-014r-9100000000-95ace34baf60420362002019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - N-hydroxycadaverine 40V, Positive-QTOFsplash10-052f-9000000000-438b53c32d4f89e881b02019-02-22Wishart 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 IDFDB031038
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound44123536
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