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Showing metabocard for Adipamide (HMDB0304762)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 12:13:59 UTC
Update Date2021-09-24 12:13:59 UTC
HMDB IDHMDB0304762
Secondary Accession NumbersNone
Metabolite Identification
Common NameAdipamide
Descriptionhexanediimidic acid belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine. Based on a literature review very few articles have been published on hexanediimidic acid.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0304762 (Adipamide)


  Mrv1652304032018332D          

 10  9  0  0  0  0            999 V2000
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.2375    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  2  0  0  0  0
  8  6  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
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3D MOL for HMDB0304762 (Adipamide)

HMDB0304762
     RDKit          3D
Adipamide
 22 21  0  0  0  0  0  0  0  0999 V2000
   -1.8742    1.4048    0.8541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313    0.6054    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7879    0.9939   -0.3372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101   -0.7007   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6406   -1.0352    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4396   -0.0848   -0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7446   -0.5942    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    0.2362   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8652   -0.2735   -0.7575 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918    1.5850    0.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2859    2.3166    1.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3515    1.6829    0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836   -1.5238    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -0.8353   -1.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786   -1.2316    1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3816   -2.0289   -0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857   -0.2057   -1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2553    0.9515   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9149   -1.6228   -0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6963   -0.6433    1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8735   -1.2768   -1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9928    2.2803   -0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  8 10  1  0
  1 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
M  END
Download

3D SDF for HMDB0304762 (Adipamide)


  Mrv1652304032018332D          

 10  9  0  0  0  0            999 V2000
    2.2539    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1105    1.2375    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  2  0  0  0  0
  8  6  2  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0304762

> <DATABASE_NAME>
hmdb

> <SMILES>
OC(=N)CCCCC(O)=N

> <INCHI_IDENTIFIER>
InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)

> <INCHI_KEY>
GVNWZKBFMFUVNX-UHFFFAOYSA-N

> <FORMULA>
C6H12N2O2

> <MOLECULAR_WEIGHT>
144.1717

> <EXACT_MASS>
144.089877638

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
15.147282197783301

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexanediimidic acid

> <ALOGPS_LOGP>
-0.86

> <JCHEM_LOGP>
-4.773864547253583

> <ALOGPS_LOGS>
-2.35

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
0.10989737191681126

> <JCHEM_PKA_STRONGEST_ACIDIC>
-0.6349764401196989

> <JCHEM_PKA_STRONGEST_BASIC>
13.691847933416797

> <JCHEM_POLAR_SURFACE_AREA>
88.16000000000001

> <JCHEM_REFRACTIVITY>
58.2566

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.49e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
adipamide

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0304762 (Adipamide)

HMDB0304762
     RDKit          3D
Adipamide
 22 21  0  0  0  0  0  0  0  0999 V2000
   -1.8742    1.4048    0.8541 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5313    0.6054    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7879    0.9939   -0.3372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0101   -0.7007   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6406   -1.0352    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4396   -0.0848   -0.3107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7446   -0.5942    0.2690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8906    0.2362   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8652   -0.2735   -0.7575 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9918    1.5850    0.2255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2859    2.3166    1.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3515    1.6829    0.1480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6836   -1.5238    0.0616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -0.8353   -1.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5786   -1.2316    1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3816   -2.0289   -0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4857   -0.2057   -1.4290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2553    0.9515   -0.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9149   -1.6228   -0.0950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6963   -0.6433    1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8735   -1.2768   -1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9928    2.2803   -0.5217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  8 10  1  0
  1 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  5 15  1  0
  5 16  1  0
  6 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
M  END
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PDB for HMDB0304762 (Adipamide)

HEADER    PROTEIN                                 03-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-APR-20         0                                  
HETATM    1  C   UNK     0       4.207   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.541   0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.875   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.206   0.770   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       8.208   0.770   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0      -1.127   0.000   0.000  0.00  0.00           N+0
HETATM    9  O   UNK     0       6.875  -1.540   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.206   2.310   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    9                                                  
CONECT    6    4    8   10                                                  
CONECT    7    5                                                            
CONECT    8    6                                                            
CONECT    9    5                                                            
CONECT   10    6                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   18    0
END
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3D PDB for HMDB0304762 (Adipamide)

COMPND    HMDB0304762
HETATM    1  N1  UNL     1      -1.874   1.405   0.854  1.00  0.00           N  
HETATM    2  C1  UNL     1      -2.531   0.605   0.100  1.00  0.00           C  
HETATM    3  O1  UNL     1      -3.788   0.994  -0.337  1.00  0.00           O  
HETATM    4  C2  UNL     1      -2.010  -0.701  -0.318  1.00  0.00           C  
HETATM    5  C3  UNL     1      -0.641  -1.035   0.154  1.00  0.00           C  
HETATM    6  C4  UNL     1       0.440  -0.085  -0.311  1.00  0.00           C  
HETATM    7  C5  UNL     1       1.745  -0.594   0.269  1.00  0.00           C  
HETATM    8  C6  UNL     1       2.891   0.236  -0.101  1.00  0.00           C  
HETATM    9  N2  UNL     1       3.865  -0.274  -0.757  1.00  0.00           N  
HETATM   10  O2  UNL     1       2.992   1.585   0.225  1.00  0.00           O  
HETATM   11  H1  UNL     1      -2.286   2.317   1.122  1.00  0.00           H  
HETATM   12  H2  UNL     1      -4.352   1.683   0.148  1.00  0.00           H  
HETATM   13  H3  UNL     1      -2.684  -1.524   0.062  1.00  0.00           H  
HETATM   14  H4  UNL     1      -2.025  -0.835  -1.428  1.00  0.00           H  
HETATM   15  H5  UNL     1      -0.579  -1.232   1.246  1.00  0.00           H  
HETATM   16  H6  UNL     1      -0.382  -2.029  -0.319  1.00  0.00           H  
HETATM   17  H7  UNL     1       0.486  -0.206  -1.429  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.255   0.952  -0.043  1.00  0.00           H  
HETATM   19  H9  UNL     1       1.915  -1.623  -0.095  1.00  0.00           H  
HETATM   20  H10 UNL     1       1.696  -0.643   1.381  1.00  0.00           H  
HETATM   21  H11 UNL     1       3.874  -1.277  -1.044  1.00  0.00           H  
HETATM   22  H12 UNL     1       2.993   2.280  -0.522  1.00  0.00           H  
CONECT    1    2    2   11
CONECT    2    3    4
CONECT    3   12
CONECT    4    5   13   14
CONECT    5    6   15   16
CONECT    6    7   17   18
CONECT    7    8   19   20
CONECT    8    9    9   10
CONECT    9   21
CONECT   10   22
END
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SMILES for HMDB0304762 (Adipamide)

OC(=N)CCCCC(O)=N
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INCHI for HMDB0304762 (Adipamide)

InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
HexanediimidateGenerator
Chemical FormulaC6H12N2O2
Average Molecular Weight144.1717
Monoisotopic Molecular Weight144.089877638
IUPAC Namehexanediimidic acid
Traditional Nameadipamide
CAS Registry NumberNot Available
SMILES
OC(=N)CCCCC(O)=N
InChI Identifier
InChI=1S/C6H12N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H2,(H2,7,9)(H2,8,10)
InChI KeyGVNWZKBFMFUVNX-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty amides
Direct ParentFatty amides
Alternative Parents
Substituents
  • Fatty amide
  • Primary carboxylic acid amide
  • Carboxamide group
  • Carboxylic acid derivative
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • 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-0.86ALOGPS
logP-4.8ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)-0.63ChemAxon
pKa (Strongest Basic)13.69ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area88.16 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity58.26 m³·mol⁻¹ChemAxon
Polarizability15.15 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]+133.46532859911
AllCCS[M+H-H2O]+129.45532859911
AllCCS[M+Na]+138.27732859911
AllCCS[M+NH4]+137.232859911
AllCCS[M-H]-131.732859911
AllCCS[M+Na-2H]-133.95732859911
AllCCS[M+HCOO]-136.49132859911
DeepCCS[M+H]+136.47230932474
DeepCCS[M-H]-133.99730932474
DeepCCS[M-2H]-170.41630932474
DeepCCS[M+Na]+145.61230932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Adipamide,3TMS,isomer #1C[Si](C)(C)N=C(CCCCC(=N)O[Si](C)(C)C)O[Si](C)(C)C1831.6Semi standard non polar33892256
Adipamide,3TMS,isomer #1C[Si](C)(C)N=C(CCCCC(=N)O[Si](C)(C)C)O[Si](C)(C)C1732.3Standard non polar33892256
Adipamide,3TMS,isomer #1C[Si](C)(C)N=C(CCCCC(=N)O[Si](C)(C)C)O[Si](C)(C)C2134.4Standard polar33892256
Adipamide,3TMS,isomer #2C[Si](C)(C)N=C(O)CCCCC(=N[Si](C)(C)C)O[Si](C)(C)C1819.2Semi standard non polar33892256
Adipamide,3TMS,isomer #2C[Si](C)(C)N=C(O)CCCCC(=N[Si](C)(C)C)O[Si](C)(C)C1725.4Standard non polar33892256
Adipamide,3TMS,isomer #2C[Si](C)(C)N=C(O)CCCCC(=N[Si](C)(C)C)O[Si](C)(C)C2238.6Standard polar33892256
Adipamide,4TMS,isomer #1C[Si](C)(C)N=C(CCCCC(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C1834.3Semi standard non polar33892256
Adipamide,4TMS,isomer #1C[Si](C)(C)N=C(CCCCC(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C1762.7Standard non polar33892256
Adipamide,4TMS,isomer #1C[Si](C)(C)N=C(CCCCC(=N[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C1895.4Standard polar33892256
Adipamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(CCCCC(=N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2474.1Semi standard non polar33892256
Adipamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(CCCCC(=N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2266.8Standard non polar33892256
Adipamide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(CCCCC(=N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2371.7Standard polar33892256
Adipamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(O)CCCCC(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2412.5Semi standard non polar33892256
Adipamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(O)CCCCC(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2214.4Standard non polar33892256
Adipamide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N=C(O)CCCCC(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2437.7Standard polar33892256
Adipamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(CCCCC(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2633.1Semi standard non polar33892256
Adipamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(CCCCC(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2367.3Standard non polar33892256
Adipamide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N=C(CCCCC(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C2333.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Adipamide GC-MS (2 TMS)splash10-00pl-2900000000-32f16914dafa752523da2014-06-16HMDB team, MONA, MassBankView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 10V, Positive-QTOFsplash10-002b-0900000000-ee8bb385100c4b34be812016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 20V, Positive-QTOFsplash10-01t9-3900000000-811f70777766b4d4e9642016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 40V, Positive-QTOFsplash10-0abc-9000000000-71b605d9502fbe7940702016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 10V, Negative-QTOFsplash10-0006-0900000000-d276b02af74c9bf7e2c12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 20V, Negative-QTOFsplash10-0006-5900000000-755b72365973c0b625282016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 40V, Negative-QTOFsplash10-0006-9000000000-a7f24e05c1c26bbf6ba92016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 10V, Positive-QTOFsplash10-002b-1900000000-c7ff66a9318b9b3527612021-10-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 20V, Positive-QTOFsplash10-003r-9700000000-1db8feccc2c4d9b128fe2021-10-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 40V, Positive-QTOFsplash10-0a4l-9000000000-b7c4a0803a73ebe2aa832021-10-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 10V, Negative-QTOFsplash10-002f-0900000000-edee320aa1033bcf388a2021-10-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 20V, Negative-QTOFsplash10-0006-9800000000-16e9cc215906a58204d82021-10-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Adipamide 40V, Negative-QTOFsplash10-0006-9000000000-90726b17dc36e29c52992021-10-22Wishart 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 IDFDB098120
KNApSAcK IDNot Available
Chemspider ID11858
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