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Showing metabocard for Beclamide (HMDB0248921)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 03:23:04 UTC
Update Date2021-09-26 22:59:28 UTC
HMDB IDHMDB0248921
Secondary Accession NumbersNone
Metabolite Identification
Common NameBeclamide
DescriptionBeclamide, also known as benzylamide or posedrine, belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Based on a literature review very few articles have been published on Beclamide. This compound has been identified in human blood as reported by (PMID: 31557052 ). Beclamide is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Beclamide is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0248921 (Beclamide)


  Mrv0541 06201412312D          

 13 13  0  0  0  0            999 V2000
   -0.8079    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934    1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934    0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8079    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223    0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223    1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3354    0.9783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0499    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644    0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4789    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1933    0.9783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0499   -0.2591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
Download

3D MOL for HMDB0248921 (Beclamide)

HMDB0248921
     RDKit          3D
Beclamide
 25 25  0  0  0  0  0  0  0  0999 V2000
    1.5762   -0.7629    0.9458 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7151   -0.2551   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918    0.5609   -0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    0.6637    0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3949   -0.9437    1.2308 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7197   -0.4923   -1.1647 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4576   -1.2991   -0.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4544   -0.5544   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4881   -1.2679    0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4571   -0.6310    1.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4076    0.7302    1.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871    1.4511    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234    0.8003    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300    1.6252   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4676    0.1854   -1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3192    1.2033    1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7107    1.2561    0.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8339   -0.0715   -2.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1471   -2.1817   -0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9062   -1.5746   -1.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457   -2.3590    0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2579   -1.1946    1.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1808    1.2243    2.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3561    2.5294    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126    1.3580   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END
Download

3D SDF for HMDB0248921 (Beclamide)


  Mrv0541 06201412312D          

 13 13  0  0  0  0            999 V2000
   -0.8079    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934    1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0934    0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8079    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223    0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223    1.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6210    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3354    0.9783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0499    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644    0.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4789    0.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1933    0.9783    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0499   -0.2591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  9 13  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0248921

> <DATABASE_NAME>
hmdb

> <SMILES>
ClCCC(=O)NCC1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)

> <INCHI_KEY>
JPYQFYIEOUVJDU-UHFFFAOYSA-N

> <FORMULA>
C10H12ClNO

> <MOLECULAR_WEIGHT>
197.661

> <EXACT_MASS>
197.060741718

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
20.61357252017798

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-benzyl-3-chloropropanamide

> <ALOGPS_LOGP>
1.61

> <JCHEM_LOGP>
1.692217401333333

> <ALOGPS_LOGS>
-2.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.127144702109572

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7317771921935092

> <JCHEM_POLAR_SURFACE_AREA>
29.1

> <JCHEM_REFRACTIVITY>
53.427800000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.36e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N-benzyl-3-chloropropionamide

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0248921 (Beclamide)

HMDB0248921
     RDKit          3D
Beclamide
 25 25  0  0  0  0  0  0  0  0999 V2000
    1.5762   -0.7629    0.9458 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7151   -0.2551   -0.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8918    0.5609   -0.4762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    0.6637    0.7328 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3949   -0.9437    1.2308 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7197   -0.4923   -1.1647 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4576   -1.2991   -0.9022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4544   -0.5544   -0.0954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4881   -1.2679    0.4748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4571   -0.6310    1.2370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4076    0.7302    1.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3871    1.4511    0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4234    0.8003    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6300    1.6252   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4676    0.1854   -1.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3192    1.2033    1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7107    1.2561    0.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8339   -0.0715   -2.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1471   -2.1817   -0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9062   -1.5746   -1.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5457   -2.3590    0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2579   -1.1946    1.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1808    1.2243    2.0466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3561    2.5294    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6126    1.3580   -0.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  6 18  1  0
  7 19  1  0
  7 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
 12 24  1  0
 13 25  1  0
M  END
Download

PDB for HMDB0248921 (Beclamide)

HEADER    PROTEIN                                 20-JUN-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-14         0                                  
HETATM    1  C   UNK     0      -1.508   4.136   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.174   3.366   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.174   1.826   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.508   1.056   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.842   1.826   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.842   3.366   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.159   1.056   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       2.493   1.826   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       3.826   1.056   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.160   1.826   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.494   1.056   0.000  0.00  0.00           C+0
HETATM   12 Cl   UNK     0       7.827   1.826   0.000  0.00  0.00          Cl+0
HETATM   13  O   UNK     0       3.826  -0.484   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5                                                       
CONECT    7    3    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   13                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11                                                            
CONECT   13    9                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END
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3D PDB for HMDB0248921 (Beclamide)

COMPND    HMDB0248921
HETATM    1  O1  UNL     1       1.576  -0.763   0.946  1.00  0.00           O  
HETATM    2  C1  UNL     1       1.715  -0.255  -0.191  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.892   0.561  -0.476  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.823   0.664   0.733  1.00  0.00           C  
HETATM    5 CL1  UNL     1       4.395  -0.944   1.231  1.00  0.00          CL  
HETATM    6  N1  UNL     1       0.720  -0.492  -1.165  1.00  0.00           N  
HETATM    7  C4  UNL     1      -0.458  -1.299  -0.902  1.00  0.00           C  
HETATM    8  C5  UNL     1      -1.454  -0.554  -0.095  1.00  0.00           C  
HETATM    9  C6  UNL     1      -2.488  -1.268   0.475  1.00  0.00           C  
HETATM   10  C7  UNL     1      -3.457  -0.631   1.237  1.00  0.00           C  
HETATM   11  C8  UNL     1      -3.408   0.730   1.442  1.00  0.00           C  
HETATM   12  C9  UNL     1      -2.387   1.451   0.882  1.00  0.00           C  
HETATM   13  C10 UNL     1      -1.423   0.800   0.120  1.00  0.00           C  
HETATM   14  H1  UNL     1       2.630   1.625  -0.731  1.00  0.00           H  
HETATM   15  H2  UNL     1       3.468   0.185  -1.338  1.00  0.00           H  
HETATM   16  H3  UNL     1       3.319   1.203   1.561  1.00  0.00           H  
HETATM   17  H4  UNL     1       4.711   1.256   0.434  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.834  -0.072  -2.105  1.00  0.00           H  
HETATM   19  H6  UNL     1      -0.147  -2.182  -0.299  1.00  0.00           H  
HETATM   20  H7  UNL     1      -0.906  -1.575  -1.861  1.00  0.00           H  
HETATM   21  H8  UNL     1      -2.546  -2.359   0.326  1.00  0.00           H  
HETATM   22  H9  UNL     1      -4.258  -1.195   1.677  1.00  0.00           H  
HETATM   23  H10 UNL     1      -4.181   1.224   2.047  1.00  0.00           H  
HETATM   24  H11 UNL     1      -2.356   2.529   1.048  1.00  0.00           H  
HETATM   25  H12 UNL     1      -0.613   1.358  -0.328  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    6
CONECT    3    4   14   15
CONECT    4    5   16   17
CONECT    6    7   18
CONECT    7    8   19   20
CONECT    8    9    9   13
CONECT    9   10   21
CONECT   10   11   11   22
CONECT   11   12   23
CONECT   12   13   13   24
CONECT   13   25
END
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SMILES for HMDB0248921 (Beclamide)

ClCCC(=O)NCC1=CC=CC=C1
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INCHI for HMDB0248921 (Beclamide)

InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
BENZYLAMIDEHMDB
BENZCHLORPROPAMIDEHMDB
PosedrineHMDB
ChloraconHMDB
NydraneHMDB
Chemical FormulaC10H12ClNO
Average Molecular Weight197.661
Monoisotopic Molecular Weight197.060741718
IUPAC NameN-benzyl-3-chloropropanamide
Traditional NameN-benzyl-3-chloropropionamide
CAS Registry NumberNot Available
SMILES
ClCCC(=O)NCC1=CC=CC=C1
InChI Identifier
InChI=1S/C10H12ClNO/c11-7-6-10(13)12-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,12,13)
InChI KeyJPYQFYIEOUVJDU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassNot Available
Direct ParentBenzene and substituted derivatives
Alternative Parents
Substituents
  • Monocyclic benzene moiety
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Carboxylic acid derivative
  • Alkyl chloride
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Alkyl halide
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
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
logP1.61ALOGPS
logP1.69ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)14.13ChemAxon
pKa (Strongest Basic)-1.7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area29.1 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity53.43 m³·mol⁻¹ChemAxon
Polarizability20.61 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+141.05230932474
DeepCCS[M-H]-137.22530932474
DeepCCS[M-2H]-174.5230932474
DeepCCS[M+Na]+150.05930932474
AllCCS[M+H]+141.232859911
AllCCS[M+H-H2O]+137.232859911
AllCCS[M+NH4]+144.932859911
AllCCS[M+Na]+146.032859911
AllCCS[M-H]-142.932859911
AllCCS[M+Na-2H]-143.832859911
AllCCS[M+HCOO]-144.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
BeclamideClCCC(=O)NCC1=CC=CC=C12742.2Standard polar33892256
BeclamideClCCC(=O)NCC1=CC=CC=C11706.3Standard non polar33892256
BeclamideClCCC(=O)NCC1=CC=CC=C11765.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Beclamide,1TMS,isomer #1C[Si](C)(C)N(CC1=CC=CC=C1)C(=O)CCCl1711.0Semi standard non polar33892256
Beclamide,1TMS,isomer #1C[Si](C)(C)N(CC1=CC=CC=C1)C(=O)CCCl1781.9Standard non polar33892256
Beclamide,1TMS,isomer #1C[Si](C)(C)N(CC1=CC=CC=C1)C(=O)CCCl2195.5Standard polar33892256
Beclamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CC1=CC=CC=C1)C(=O)CCCl1959.4Semi standard non polar33892256
Beclamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CC1=CC=CC=C1)C(=O)CCCl2004.5Standard non polar33892256
Beclamide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CC1=CC=CC=C1)C(=O)CCCl2300.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Beclamide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9300000000-abbefc4033683fe0a7322021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Beclamide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 10V, Positive-QTOFsplash10-0a4j-2900000000-c8da9e9013128f93e88e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 20V, Positive-QTOFsplash10-0a4i-4900000000-ab33bc0f32c45599115c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 40V, Positive-QTOFsplash10-052f-9200000000-49564b6b7dc0725f0b472016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 10V, Negative-QTOFsplash10-0002-1900000000-425b21f2896d0101e3b72016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 20V, Negative-QTOFsplash10-0bvj-3900000000-b185c6fad696e0b98d292016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 40V, Negative-QTOFsplash10-0006-9200000000-2781cdee09c8f79fa4112016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 10V, Positive-QTOFsplash10-0007-9600000000-01f28b41ac781ecf9d612021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 20V, Positive-QTOFsplash10-0006-9300000000-2b4316f2fc7ea667c7442021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 40V, Positive-QTOFsplash10-0006-9100000000-a0139d8d8f37b32641592021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 10V, Negative-QTOFsplash10-0002-5900000000-b4aab55b928a6cc6268b2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 20V, Negative-QTOFsplash10-0059-9100000000-02477098d97bf777c9b92021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Beclamide 40V, Negative-QTOFsplash10-001i-9100000000-e09d3976253e1abe3b4c2021-10-12Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB09011
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID9962
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBeclamide
METLIN IDNot Available
PubChem Compound10391
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 References
  1. Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]