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Showing metabocard for Carbazole (HMDB0249614)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 04:07:49 UTC
Update Date2021-09-26 23:00:37 UTC
HMDB IDHMDB0249614
Secondary Accession NumbersNone
Metabolite Identification
Common NameCarbazole
DescriptionCarbazole, also known as 9-azafluorene or dibenzopyrrole, belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. Carbazole is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Carbazole. This compound has been identified in human blood as reported by (PMID: 31557052 ). Carbazole is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Carbazole 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 HMDB0249614 (Carbazole)


  Mrv1652304272018132D          

 13 15  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457    2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994    2.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8783    2.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3857    1.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    1.3276    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
   -1.7182    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    0.1715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
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3D MOL for HMDB0249614 (Carbazole)

HMDB0249614
     RDKit          3D
Carbazole
 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.3733    0.2790    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319   -0.9387   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6912   -1.2400   -0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -0.3499   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667    0.8689    0.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    1.1625    0.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0623    1.5356    0.7044 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530    0.8096    0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5228    1.0355    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4252    0.0770    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239   -1.0921   -0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5720   -1.3099   -0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688   -0.3606   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4202    0.5650    0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8430   -1.5768   -0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4071   -2.1895   -1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6805    2.1194    0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    2.4840    1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8910    1.9573    0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4933    0.2327    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447   -1.8369   -0.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760   -2.2321   -0.9891 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
  5  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
  6  1  1  0
 13  8  1  0
 13  4  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END
Download

3D SDF for HMDB0249614 (Carbazole)


  Mrv1652304272018132D          

 13 15  0  0  0  0            999 V2000
    0.8250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457    2.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2994    2.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8783    2.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3857    1.4769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9645    1.3276    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
   -1.7182    0.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320    0.1715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  2  4  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  2  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0249614

> <DATABASE_NAME>
hmdb

> <SMILES>
N1C2=CC=CC=C2C2=CC=CC=C12

> <INCHI_IDENTIFIER>
InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

> <INCHI_KEY>
UJOBWOGCFQCDNV-UHFFFAOYSA-N

> <FORMULA>
C12H9N

> <MOLECULAR_WEIGHT>
167.2066

> <EXACT_MASS>
167.073499293

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
22

> <JCHEM_AVERAGE_POLARIZABILITY>
18.81626700562974

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9H-carbazole

> <ALOGPS_LOGP>
3.69

> <JCHEM_LOGP>
3.0908856893333327

> <ALOGPS_LOGS>
-3.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.973866610582505

> <JCHEM_POLAR_SURFACE_AREA>
15.79

> <JCHEM_REFRACTIVITY>
53.47220000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.69e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
carbazole

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0249614 (Carbazole)

HMDB0249614
     RDKit          3D
Carbazole
 22 24  0  0  0  0  0  0  0  0999 V2000
   -3.3733    0.2790    0.0349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0319   -0.9387   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6912   -1.2400   -0.6140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -0.3499   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0667    0.8689    0.3682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4161    1.1625    0.4655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0623    1.5356    0.7044 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1530    0.8096    0.4022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5228    1.0355    0.5433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4252    0.0770    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9239   -1.0921   -0.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5720   -1.3099   -0.5562 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688   -0.3606   -0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4202    0.5650    0.1369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8430   -1.5768   -0.8273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4071   -2.1895   -1.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6805    2.1194    0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    2.4840    1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8910    1.9573    0.9753 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4933    0.2327    0.2302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6447   -1.8369   -0.7403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760   -2.2321   -0.9891 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
  5  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
  6  1  1  0
 13  8  1  0
 13  4  1  0
  1 14  1  0
  2 15  1  0
  3 16  1  0
  6 17  1  0
  7 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END
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PDB for HMDB0249614 (Carbazole)

HEADER    PROTEIN                                 27-APR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-APR-20         0                                  
HETATM    1  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.885   4.915   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.770  -1.334   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -4.292   4.289   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.770   1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.640   4.010   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.453   2.757   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.800   2.478   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.540   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.207   1.852   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      -3.046   0.320   0.000  0.00  0.00           N+0
CONECT    1    3    5                                                       
CONECT    2    4    6                                                       
CONECT    3    1    7                                                       
CONECT    4    2    8                                                       
CONECT    5    1    9                                                       
CONECT    6    2   10                                                       
CONECT    7    3   11                                                       
CONECT    8    4   12                                                       
CONECT    9    5   10   11                                                  
CONECT   10    6    9   12                                                  
CONECT   11    7    9   13                                                  
CONECT   12    8   10   13                                                  
CONECT   13   11   12                                                       
MASTER        0    0    0    0    0    0    0    0   13    0   30    0
END
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3D PDB for HMDB0249614 (Carbazole)

COMPND    HMDB0249614
HETATM    1  C1  UNL     1      -3.373   0.279   0.035  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.032  -0.939  -0.513  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.691  -1.240  -0.614  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.710  -0.350  -0.180  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.067   0.869   0.368  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.416   1.163   0.466  1.00  0.00           C  
HETATM    7  N1  UNL     1       0.062   1.536   0.704  1.00  0.00           N  
HETATM    8  C7  UNL     1       1.153   0.810   0.402  1.00  0.00           C  
HETATM    9  C8  UNL     1       2.523   1.036   0.543  1.00  0.00           C  
HETATM   10  C9  UNL     1       3.425   0.077   0.130  1.00  0.00           C  
HETATM   11  C10 UNL     1       2.924  -1.092  -0.419  1.00  0.00           C  
HETATM   12  C11 UNL     1       1.572  -1.310  -0.556  1.00  0.00           C  
HETATM   13  C12 UNL     1       0.669  -0.361  -0.147  1.00  0.00           C  
HETATM   14  H1  UNL     1      -4.420   0.565   0.137  1.00  0.00           H  
HETATM   15  H2  UNL     1      -3.843  -1.577  -0.827  1.00  0.00           H  
HETATM   16  H3  UNL     1      -1.407  -2.190  -1.041  1.00  0.00           H  
HETATM   17  H4  UNL     1      -2.680   2.119   0.896  1.00  0.00           H  
HETATM   18  H5  UNL     1       0.107   2.484   1.140  1.00  0.00           H  
HETATM   19  H6  UNL     1       2.891   1.957   0.975  1.00  0.00           H  
HETATM   20  H7  UNL     1       4.493   0.233   0.230  1.00  0.00           H  
HETATM   21  H8  UNL     1       3.645  -1.837  -0.740  1.00  0.00           H  
HETATM   22  H9  UNL     1       1.176  -2.232  -0.989  1.00  0.00           H  
CONECT    1    2    2    6   14
CONECT    2    3   15
CONECT    3    4    4   16
CONECT    4    5   13
CONECT    5    6    6    7
CONECT    6   17
CONECT    7    8   18
CONECT    8    9    9   13
CONECT    9   10   19
CONECT   10   11   11   20
CONECT   11   12   21
CONECT   12   13   13   22
END
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SMILES for HMDB0249614 (Carbazole)

N1C2=CC=CC=C2C2=CC=CC=C12
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INCHI for HMDB0249614 (Carbazole)

InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
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View in JSmolView Stereo Labels
Synonyms
ValueSource
9-AzafluoreneChEBI
Dibenzo[b,D]pyrroleChEBI
DibenzopyrroleChEBI
DiphenylenimideChEBI
DiphenylenimineChEBI
9H-CarbazoleKegg
Dibenzo(b,D)pyrroleMeSH
CarbazoleChEBI
Chemical FormulaC12H9N
Average Molecular Weight167.2066
Monoisotopic Molecular Weight167.073499293
IUPAC Name9H-carbazole
Traditional Namecarbazole
CAS Registry NumberNot Available
SMILES
N1C2=CC=CC=C2C2=CC=CC=C12
InChI Identifier
InChI=1S/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H
InChI KeyUJOBWOGCFQCDNV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassCarbazoles
Direct ParentCarbazoles
Alternative Parents
Substituents
  • Carbazole
  • Indole
  • Benzenoid
  • Heteroaromatic compound
  • Pyrrole
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
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
logP3.69ALOGPS
logP3.09ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)14.97ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area15.79 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity53.47 m³·mol⁻¹ChemAxon
Polarizability18.82 ųChemAxon
Number of Rings3ChemAxon
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-2H]-163.78530932474
DeepCCS[M+Na]+139.25130932474
AllCCS[M+H]+134.132859911
AllCCS[M+H-H2O]+129.432859911
AllCCS[M+NH4]+138.532859911
AllCCS[M+Na]+139.832859911
AllCCS[M-H]-135.732859911
AllCCS[M+Na-2H]-135.532859911
AllCCS[M+HCOO]-135.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CarbazoleN1C2=CC=CC=C2C2=CC=CC=C123024.9Standard polar33892256
CarbazoleN1C2=CC=CC=C2C2=CC=CC=C121792.7Standard non polar33892256
CarbazoleN1C2=CC=CC=C2C2=CC=CC=C121829.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Carbazole,1TMS,isomer #1C[Si](C)(C)N1C2=CC=CC=C2C2=CC=CC=C211993.4Semi standard non polar33892256
Carbazole,1TMS,isomer #1C[Si](C)(C)N1C2=CC=CC=C2C2=CC=CC=C211836.5Standard non polar33892256
Carbazole,1TMS,isomer #1C[Si](C)(C)N1C2=CC=CC=C2C2=CC=CC=C212233.0Standard polar33892256
Carbazole,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C2=CC=CC=C2C2=CC=CC=C212267.9Semi standard non polar33892256
Carbazole,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C2=CC=CC=C2C2=CC=CC=C212039.9Standard non polar33892256
Carbazole,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C2=CC=CC=C2C2=CC=CC=C212319.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Carbazole EI-B (Non-derivatized)splash10-014i-2900000000-b78b8a115b67c322c3562017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Carbazole GC-EI-TOF (Non-derivatized)splash10-014i-1900000000-f38f5086059cb3ac89822017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Carbazole GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-0900000000-6b8ed13c96547bc917c22021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Carbazole GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole LC-ESI-QQ , negative-QTOFsplash10-014i-0900000000-8d3916df8fb5bf7cb4972017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole LC-ESI-QQ , negative-QTOFsplash10-014i-0900000000-bb2897ade782d2cb28a32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole LC-ESI-QQ , negative-QTOFsplash10-014i-0900000000-2e0ee0ac796cf07f5e082017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole LC-ESI-QQ , negative-QTOFsplash10-014i-0900000000-570e07105496210033672017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole LC-ESI-QQ , negative-QTOFsplash10-014i-0900000000-09a94e4635c7ccd855132017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole LC-ESI-QQ , positive-QTOFsplash10-0udi-1900000000-8bc19b11f61d9a4a2b7b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole LC-ESI-QQ , positive-QTOFsplash10-0f79-6900000000-a67fbf7a4377e88ed6ec2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole LC-ESI-QQ , positive-QTOFsplash10-0674-9600000000-b9e5f8f30eba4f4108382017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole LC-ESI-QQ , positive-QTOFsplash10-00kf-9400000000-997f1b12553eb140d5772017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole LC-ESI-QQ , positive-QTOFsplash10-016u-9500000000-439210ff3228097f7d4d2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole ESI-ITFT , positive-QTOFsplash10-014i-0900000000-31a551a3b0c039b14e7c2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole APCI-ITFT , positive-QTOFsplash10-014i-0900000000-87189b4441e2b819dbc32017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Carbazole 35V, Positive-QTOFsplash10-014i-0900000000-31a551a3b0c039b14e7c2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 10V, Positive-QTOFsplash10-014i-0900000000-05739bb49ad3bad95f932016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 20V, Positive-QTOFsplash10-014i-0900000000-2f7c32756cfcba4a70f12016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 40V, Positive-QTOFsplash10-014i-0900000000-2291e1777d6832ba096b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 10V, Negative-QTOFsplash10-014i-0900000000-0ccc45575abcdef01c112016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 20V, Negative-QTOFsplash10-014i-0900000000-0ccc45575abcdef01c112016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 40V, Negative-QTOFsplash10-014i-0900000000-9d332fa2fa316b0417d32016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 10V, Positive-QTOFsplash10-014i-0900000000-2e4482a79bf9fdbdf05d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 20V, Positive-QTOFsplash10-014i-0900000000-2e4482a79bf9fdbdf05d2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 40V, Positive-QTOFsplash10-014i-0900000000-f496b9f5cf5ef74458992021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 10V, Negative-QTOFsplash10-014i-0900000000-de30817c2d52bd6bbcb72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 20V, Negative-QTOFsplash10-014i-0900000000-de30817c2d52bd6bbcb72021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Carbazole 40V, Negative-QTOFsplash10-014i-0900000000-de30817c2d52bd6bbcb72021-10-12Wishart 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 IDDB07301
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00024693
Chemspider ID6593
KEGG Compound IDC08060
BioCyc IDCPD-12475
BiGG IDNot Available
Wikipedia LinkCarbazole
METLIN IDNot Available
PubChem Compound6854
PDB IDNot Available
ChEBI ID27543
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 ]