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Showing metabocard for Benzodiazepine (HMDB0249012)

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enzymes (33) Show 33 proteins
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 03:29:33 UTC
Update Date2021-10-01 19:35:54 UTC
HMDB IDHMDB0249012
Secondary Accession NumbersNone
Metabolite Identification
Common NameBenzodiazepine
DescriptionBenzodiazepine belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms). Benzodiazepine is an extremely strong basic compound (based on its pKa). This compound has been identified in human blood as reported by (PMID: 31557052 ). Benzodiazepine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Benzodiazepine 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 HMDB0249012 (Benzodiazepine)


  Mrv1652310211600452D          

 11 12  0  0  0  0            999 V2000
   -0.8374   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374   -1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230   -1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915   -1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408   -0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988   -0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408   -1.5591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365   -1.7427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
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3D MOL for HMDB0249012 (Benzodiazepine)

HMDB0249012
     RDKit          3D
Benzodiazepine
 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.3001   -1.0791   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0263   -1.4511   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1603   -0.5821   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3331   -1.2857    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5516   -0.6204    0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5977    0.7580    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004    1.4517    0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948    0.7975   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9238    1.6732   -0.1856 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2827    1.3609    0.0068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9063    0.2324    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9837   -1.9143   -0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7906   -2.4895   -0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626   -2.3601    0.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614   -1.2170    0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5226    1.2804    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911    2.5362    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6695    2.6458   -0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9928    0.2631    0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11  1  1  0
  8  3  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  9 18  1  0
 11 19  1  0
M  END
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3D SDF for HMDB0249012 (Benzodiazepine)


  Mrv1652310211600452D          

 11 12  0  0  0  0            999 V2000
   -0.8374   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8374   -1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230   -1.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915   -1.2283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5915   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1230    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365    0.1111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408   -0.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3988   -0.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408   -1.5591    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2365   -1.7427    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
  4 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0249012

> <DATABASE_NAME>
hmdb

> <SMILES>
N1N=CC=CC2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H

> <INCHI_KEY>
SVUOLADPCWQTTE-UHFFFAOYSA-N

> <FORMULA>
C9H8N2

> <MOLECULAR_WEIGHT>
144.177

> <EXACT_MASS>
144.068748266

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
15.194398989596225

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1H-1,2-benzodiazepine

> <ALOGPS_LOGP>
2.90

> <JCHEM_LOGP>
2.1190887829999996

> <ALOGPS_LOGS>
-2.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.545953746826277

> <JCHEM_PKA_STRONGEST_BASIC>
16.867441280241884

> <JCHEM_POLAR_SURFACE_AREA>
24.39

> <JCHEM_REFRACTIVITY>
47.8142

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.02e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1H-1,2-benzodiazepine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0249012 (Benzodiazepine)

HMDB0249012
     RDKit          3D
Benzodiazepine
 19 20  0  0  0  0  0  0  0  0999 V2000
   -2.3001   -1.0791   -0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0263   -1.4511   -0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1603   -0.5821   -0.0579 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3331   -1.2857    0.0859 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5516   -0.6204    0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5977    0.7580    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4004    1.4517    0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948    0.7975   -0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9238    1.6732   -0.1856 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2827    1.3609    0.0068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9063    0.2324    0.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9837   -1.9143   -0.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7906   -2.4895   -0.3647 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2626   -2.3601    0.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4614   -1.2170    0.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5226    1.2804    0.3672 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3911    2.5362    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6695    2.6458   -0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9928    0.2631    0.1972 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11  1  1  0
  8  3  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  9 18  1  0
 11 19  1  0
M  END
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PDB for HMDB0249012 (Benzodiazepine)

HEADER    PROTEIN                                 21-OCT-16   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-OCT-16         0                                  
HETATM    1  C   UNK     0      -1.563  -0.753   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.563  -2.293   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.230  -3.063   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.104  -2.293   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.104  -0.753   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.230   0.017   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.308   0.207   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.810  -0.135   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.478  -1.523   0.000  0.00  0.00           C+0
HETATM   10  N   UNK     0       3.810  -2.910   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0       2.308  -3.253   0.000  0.00  0.00           N+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   11                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10    4                                                       
MASTER        0    0    0    0    0    0    0    0   11    0   24    0
END
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3D PDB for HMDB0249012 (Benzodiazepine)

COMPND    HMDB0249012
HETATM    1  C1  UNL     1      -2.300  -1.079  -0.170  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.026  -1.451  -0.209  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.160  -0.582  -0.058  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.333  -1.286   0.086  1.00  0.00           C  
HETATM    5  C5  UNL     1       2.552  -0.620   0.240  1.00  0.00           C  
HETATM    6  C6  UNL     1       2.598   0.758   0.250  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.400   1.452   0.103  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.195   0.798  -0.049  1.00  0.00           C  
HETATM    9  N1  UNL     1      -0.924   1.673  -0.186  1.00  0.00           N  
HETATM   10  N2  UNL     1      -2.283   1.361   0.007  1.00  0.00           N  
HETATM   11  C9  UNL     1      -2.906   0.232   0.023  1.00  0.00           C  
HETATM   12  H1  UNL     1      -2.984  -1.914  -0.308  1.00  0.00           H  
HETATM   13  H2  UNL     1      -0.791  -2.490  -0.365  1.00  0.00           H  
HETATM   14  H3  UNL     1       1.263  -2.360   0.074  1.00  0.00           H  
HETATM   15  H4  UNL     1       3.461  -1.217   0.351  1.00  0.00           H  
HETATM   16  H5  UNL     1       3.523   1.280   0.367  1.00  0.00           H  
HETATM   17  H6  UNL     1       1.391   2.536   0.106  1.00  0.00           H  
HETATM   18  H7  UNL     1      -0.669   2.646  -0.460  1.00  0.00           H  
HETATM   19  H8  UNL     1      -3.993   0.263   0.197  1.00  0.00           H  
CONECT    1    2    2   11   12
CONECT    2    3   13
CONECT    3    4    4    8
CONECT    4    5   14
CONECT    5    6    6   15
CONECT    6    7   16
CONECT    7    8    8   17
CONECT    8    9
CONECT    9   10   18
CONECT   10   11   11
CONECT   11   19
END
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SMILES for HMDB0249012 (Benzodiazepine)

N1N=CC=CC2=CC=CC=C12
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INCHI for HMDB0249012 (Benzodiazepine)

InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H
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View in JSmolView Stereo Labels
Synonyms
ValueSource
Benzodiazepine compoundsMeSH
BenzodiazepinesMeSH
Chemical FormulaC9H8N2
Average Molecular Weight144.177
Monoisotopic Molecular Weight144.068748266
IUPAC Name1H-1,2-benzodiazepine
Traditional Name1H-1,2-benzodiazepine
CAS Registry NumberNot Available
SMILES
N1N=CC=CC2=CC=CC=C12
InChI Identifier
InChI=1S/C9H8N2/c1-2-6-9-8(4-1)5-3-7-10-11-9/h1-7,11H
InChI KeySVUOLADPCWQTTE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBenzodiazepines
Sub ClassNot Available
Direct ParentBenzodiazepines
Alternative Parents
Substituents
  • Benzodiazepine
  • Benzenoid
  • Azacycle
  • Hydrazone
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic 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
logP2.9ALOGPS
logP2.12ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)5.55ChemAxon
pKa (Strongest Basic)16.87ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area24.39 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity47.81 m³·mol⁻¹ChemAxon
Polarizability15.19 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M-2H]-161.18930932474
DeepCCS[M+Na]+136.40230932474
AllCCS[M+H]+129.032859911
AllCCS[M+H-H2O]+124.032859911
AllCCS[M+NH4]+133.632859911
AllCCS[M+Na]+134.932859911
AllCCS[M-H]-127.432859911
AllCCS[M+Na-2H]-128.132859911
AllCCS[M+HCOO]-129.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
BenzodiazepineN1N=CC=CC2=CC=CC=C122442.5Standard polar33892256
BenzodiazepineN1N=CC=CC2=CC=CC=C121479.2Standard non polar33892256
BenzodiazepineN1N=CC=CC2=CC=CC=C121577.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Benzodiazepine,1TMS,isomer #1C[Si](C)(C)N1N=CC=CC2=CC=CC=C211661.9Semi standard non polar33892256
Benzodiazepine,1TMS,isomer #1C[Si](C)(C)N1N=CC=CC2=CC=CC=C211523.1Standard non polar33892256
Benzodiazepine,1TMS,isomer #1C[Si](C)(C)N1N=CC=CC2=CC=CC=C212560.7Standard polar33892256
Benzodiazepine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1N=CC=CC2=CC=CC=C211795.4Semi standard non polar33892256
Benzodiazepine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1N=CC=CC2=CC=CC=C211709.2Standard non polar33892256
Benzodiazepine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1N=CC=CC2=CC=CC=C212719.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Benzodiazepine GC-MS (Non-derivatized) - 70eV, Positivesplash10-016u-1900000000-ca9da93e2bcecbf338ff2017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Benzodiazepine 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 - Benzodiazepine 10V, Positive-QTOFsplash10-0002-0900000000-9d5f64f4bd4189d17d592017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 20V, Positive-QTOFsplash10-0002-0900000000-d3f507c4edb6ddc8c1912017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 40V, Positive-QTOFsplash10-0fb9-9700000000-96a7241de581376c6a752017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 10V, Negative-QTOFsplash10-0006-0900000000-84c41d37c744449c409e2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 20V, Negative-QTOFsplash10-014l-0900000000-770e2abdbd0de12a9e342017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 40V, Negative-QTOFsplash10-00kf-2900000000-c0fa7ed3e7229705b4112017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 10V, Positive-QTOFsplash10-0002-0900000000-95bbe2b7dfc9b9638ba02021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 20V, Positive-QTOFsplash10-0002-0900000000-de1f9ce86e31b99393752021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 40V, Positive-QTOFsplash10-0frf-9800000000-d8c4eb858c1618f372d72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 10V, Negative-QTOFsplash10-0006-0900000000-a43e340bb2a95a9ab2aa2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 20V, Negative-QTOFsplash10-0006-0900000000-a43e340bb2a95a9ab2aa2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Benzodiazepine 40V, Negative-QTOFsplash10-0006-0900000000-61ffc9771fbace95f9c42021-10-12Wishart 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 IDDB12537
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkBenzodiazepine
METLIN IDNot Available
PubChem Compound134664
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 ]

Only showing the first 10 proteins. There are 33 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Acyl-CoA-binding protein
General function:
Involved in acyl-CoA binding
Specific function:
Binds medium- and long-chain acyl-CoA esters with very high affinity and may function as an intracellular carrier of acyl-CoA esters. It is also able to displace diazepam from the benzodiazepine (BZD) recognition site located on the GABA type A receptor. It is therefore possible that this protein also acts as a neuropeptide to modulate the action of the GABA receptor
Gene Name:
DBI
Uniprot ID:
P07108
Molecular weight:
10044.4
Enzyme Details
2. Translocator protein
General function:
Signal transduction mechanisms
Specific function:
Responsible for the manifestation of peripheral-type benzodiazepine recognition sites and is most likely to comprise binding domains for benzodiazepines and isoquinoline carboxamides. May play a role in the transport of porphyrins and heme. Plays a role in the transport of cholesterol across mitochondrial membranes in steroidogenic cells
Gene Name:
TSPO
Uniprot ID:
P30536
Molecular weight:
18778.7
Enzyme Details
3. Gamma-aminobutyric acid receptor subunit alpha-3
General function:
Involved in ion transport
Specific function:
GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:
GABRA3
Uniprot ID:
P34903
Molecular weight:
55164.1
Enzyme Details
4. Gamma-aminobutyric acid receptor subunit alpha-4
General function:
Involved in ion transport
Specific function:
GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:
GABRA4
Uniprot ID:
P48169
Molecular weight:
61622.6
Enzyme Details
5. Gamma-aminobutyric acid receptor subunit alpha-6
General function:
Involved in ion transport
Specific function:
GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:
GABRA6
Uniprot ID:
Q16445
Molecular weight:
51023.7
Enzyme Details
6. Gamma-aminobutyric acid receptor subunit delta
General function:
Involved in ion transport
Specific function:
GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:
GABRD
Uniprot ID:
O14764
Molecular weight:
50707.8
Enzyme Details
7. Gamma-aminobutyric acid receptor subunit epsilon
General function:
Involved in ion transport
Specific function:
GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:
GABRE
Uniprot ID:
P78334
Molecular weight:
57971.2
Enzyme Details
8. Gamma-aminobutyric acid receptor subunit gamma-1
General function:
Involved in ion transport
Specific function:
GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:
GABRG1
Uniprot ID:
Q8N1C3
Molecular weight:
53594.5
Enzyme Details
9. Gamma-aminobutyric acid receptor subunit gamma-3
General function:
Involved in ion transport
Specific function:
GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:
GABRG3
Uniprot ID:
Q99928
Molecular weight:
54288.2
Enzyme Details
10. Gamma-aminobutyric acid receptor subunit pi
General function:
Involved in ion transport
Specific function:
GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel. In the uterus, the function of the receptor appears to be related to tissue contractility. The binding of this pI subunit with other GABA(A) receptor subunits alters the sensitivity of recombinant receptors to modulatory agents such as pregnanolone
Gene Name:
GABRP
Uniprot ID:
O00591
Molecular weight:
50639.7

Only showing the first 10 proteins. There are 33 proteins in total.

Show all enzymes and transporters