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Showing metabocard for Phenanthridine (HMDB0256392)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 16:48:56 UTC
Update Date2021-09-26 23:12:01 UTC
HMDB IDHMDB0256392
Secondary Accession NumbersNone
Metabolite Identification
Common NamePhenanthridine
Descriptionphenanthridine, also known as 9-azaphenanthrene or benzo[c]quinoline, belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included. Based on a literature review a small amount of articles have been published on phenanthridine. This compound has been identified in human blood as reported by (PMID: 31557052 ). Phenanthridine is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Phenanthridine 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 HMDB0256392 (Phenanthridine)


  Mrv1533004261504582D          

 14 16  0  0  0  0            999 V2000
    4.0145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    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
    0.3020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    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
  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
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  4 14  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
Download

3D MOL for HMDB0256392 (Phenanthridine)

HMDB0256392
     RDKit          3D
Phenanthridine
 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.3770   -0.2426    0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6969   -1.3611   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3209   -1.3798   -0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6367   -0.2209    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2830    0.9207    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6666    0.9002    0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6077    2.0784    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124    2.0958    0.5558 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4016    1.0254    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7950    1.0997    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4856   -0.0152   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8385   -1.1971   -0.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487   -1.2620   -0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7323   -0.1723   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4472   -0.2689    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2611   -2.2542   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8630   -2.2911   -0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2113    1.7844    0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792    2.9500    1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    2.0260    0.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449    0.0628   -0.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3421   -2.0895   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764   -2.1885   -0.7858 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  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  6  1  1  0
 14  9  1  0
 14  4  1  0
  1 15  1  0
  2 16  1  0
  3 17  1  0
  6 18  1  0
  7 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
M  END
Download

3D SDF for HMDB0256392 (Phenanthridine)


  Mrv1533004261504582D          

 14 16  0  0  0  0            999 V2000
    4.0145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7770   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3020   -0.3020    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
    0.3020    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1270    1.1270    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
  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
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
  4 14  1  0  0  0  0
  9 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0256392

> <DATABASE_NAME>
hmdb

> <SMILES>
C1=CC=C2C(=C1)C=NC1=CC=CC=C21

> <INCHI_IDENTIFIER>
InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H

> <INCHI_KEY>
RDOWQLZANAYVLL-UHFFFAOYSA-N

> <FORMULA>
C13H9N

> <MOLECULAR_WEIGHT>
179.222

> <EXACT_MASS>
179.073499294

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
19.767009996043868

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
phenanthridine

> <ALOGPS_LOGP>
3.37

> <JCHEM_LOGP>
3.1203772279999997

> <ALOGPS_LOGS>
-3.82

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
4.5870856321719025

> <JCHEM_POLAR_SURFACE_AREA>
12.89

> <JCHEM_REFRACTIVITY>
56.42950000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.74e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phenanthridine

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0256392 (Phenanthridine)

HMDB0256392
     RDKit          3D
Phenanthridine
 23 25  0  0  0  0  0  0  0  0999 V2000
   -3.3770   -0.2426    0.3290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6969   -1.3611   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3209   -1.3798   -0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6367   -0.2209    0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2830    0.9207    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6666    0.9002    0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6077    2.0784    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7124    2.0958    0.5558 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4016    1.0254    0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7950    1.0997    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4856   -0.0152   -0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8385   -1.1971   -0.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4487   -1.2620   -0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7323   -0.1723   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4472   -0.2689    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2611   -2.2542   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8630   -2.2911   -0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2113    1.7844    0.9291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1792    2.9500    1.0429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    2.0260    0.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5449    0.0628   -0.5235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3421   -2.0895   -1.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9764   -2.1885   -0.7858 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  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  6  1  1  0
 14  9  1  0
 14  4  1  0
  1 15  1  0
  2 16  1  0
  3 17  1  0
  6 18  1  0
  7 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
M  END
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PDB for HMDB0256392 (Phenanthridine)

HEADER    PROTEIN                                 26-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-APR-15         0                                  
HETATM    1  C   UNK     0       7.494   0.770   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.724   2.104   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.184   2.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.414   0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.184  -0.564   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.724  -0.564   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.414  -1.897   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       2.874  -1.897   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0       2.104  -0.564   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.564  -0.564   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.206   0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.564   2.104   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.104   2.104   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.874   0.770   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5   14                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   14                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13    4    9                                                  
MASTER        0    0    0    0    0    0    0    0   14    0   32    0
END
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3D PDB for HMDB0256392 (Phenanthridine)

COMPND    HMDB0256392
HETATM    1  C1  UNL     1      -3.377  -0.243   0.329  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.697  -1.361  -0.094  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.321  -1.380  -0.264  1.00  0.00           C  
HETATM    4  C4  UNL     1      -0.637  -0.221   0.008  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.283   0.921   0.435  1.00  0.00           C  
HETATM    6  C6  UNL     1      -2.667   0.900   0.594  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.608   2.078   0.708  1.00  0.00           C  
HETATM    8  N1  UNL     1       0.712   2.096   0.556  1.00  0.00           N  
HETATM    9  C8  UNL     1       1.402   1.025   0.146  1.00  0.00           C  
HETATM   10  C9  UNL     1       2.795   1.100   0.003  1.00  0.00           C  
HETATM   11  C10 UNL     1       3.486  -0.015  -0.421  1.00  0.00           C  
HETATM   12  C11 UNL     1       2.838  -1.197  -0.705  1.00  0.00           C  
HETATM   13  C12 UNL     1       1.449  -1.262  -0.559  1.00  0.00           C  
HETATM   14  C13 UNL     1       0.732  -0.172  -0.140  1.00  0.00           C  
HETATM   15  H1  UNL     1      -4.447  -0.269   0.449  1.00  0.00           H  
HETATM   16  H2  UNL     1      -3.261  -2.254  -0.300  1.00  0.00           H  
HETATM   17  H3  UNL     1      -0.863  -2.291  -0.598  1.00  0.00           H  
HETATM   18  H4  UNL     1      -3.211   1.784   0.929  1.00  0.00           H  
HETATM   19  H5  UNL     1      -1.179   2.950   1.043  1.00  0.00           H  
HETATM   20  H6  UNL     1       3.273   2.026   0.229  1.00  0.00           H  
HETATM   21  H7  UNL     1       4.545   0.063  -0.523  1.00  0.00           H  
HETATM   22  H8  UNL     1       3.342  -2.090  -1.038  1.00  0.00           H  
HETATM   23  H9  UNL     1       0.976  -2.189  -0.786  1.00  0.00           H  
CONECT    1    2    2    6   15
CONECT    2    3   16
CONECT    3    4    4   17
CONECT    4    5   14
CONECT    5    6    6    7
CONECT    6   18
CONECT    7    8    8   19
CONECT    8    9
CONECT    9   10   10   14
CONECT   10   11   20
CONECT   11   12   12   21
CONECT   12   13   22
CONECT   13   14   14   23
END
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SMILES for HMDB0256392 (Phenanthridine)

C1=CC=C2C(=C1)C=NC1=CC=CC=C21
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INCHI for HMDB0256392 (Phenanthridine)

InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H
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View in JSmolView Stereo Labels
Synonyms
ValueSource
3,4-BenzoisoquinolineChEBI
3,4-BenzoquinolineChEBI
6-PhenanthridineChEBI
9-AzaphenanthreneChEBI
Benzo[c]quinolineChEBI
Chemical FormulaC13H9N
Average Molecular Weight179.222
Monoisotopic Molecular Weight179.073499294
IUPAC Namephenanthridine
Traditional Namephenanthridine
CAS Registry NumberNot Available
SMILES
C1=CC=C2C(=C1)C=NC1=CC=CC=C21
InChI Identifier
InChI=1S/C13H9N/c1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13/h1-9H
InChI KeyRDOWQLZANAYVLL-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenanthridines and derivatives. These are polycyclic compounds containing a phenanthridine moiety, which is a tricyclic system with two benzene rings joined by a pyridine forming a non-linear skeleton. Hydrogenated derivatives are also included.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassBenzoquinolines
Direct ParentPhenanthridines and derivatives
Alternative Parents
Substituents
  • Phenanthridine
  • Isoquinoline
  • Benzenoid
  • Pyridine
  • Heteroaromatic compound
  • 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
logP3.37ALOGPS
logP3.12ChemAxon
logS-3.8ALOGPS
pKa (Strongest Basic)4.59ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area12.89 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity56.43 m³·mol⁻¹ChemAxon
Polarizability19.77 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]-166.35930932474
DeepCCS[M+Na]+141.8430932474
AllCCS[M+H]+141.932859911
AllCCS[M+H-H2O]+137.732859911
AllCCS[M+NH4]+145.832859911
AllCCS[M+Na]+146.932859911
AllCCS[M-H]-140.232859911
AllCCS[M+Na-2H]-140.032859911
AllCCS[M+HCOO]-139.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
PhenanthridineC1=CC=C2C(=C1)C=NC1=CC=CC=C212602.7Standard polar33892256
PhenanthridineC1=CC=C2C(=C1)C=NC1=CC=CC=C211759.2Standard non polar33892256
PhenanthridineC1=CC=C2C(=C1)C=NC1=CC=CC=C211829.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Phenanthridine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0fb9-0900000000-c7432bd6d38deb098aa92021-09-24Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Phenanthridine 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 - Phenanthridine 25V, Positive-QTOFsplash10-001i-0900000000-d5507c9ad6a4cb8e5f2f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenanthridine 35V, Positive-QTOFsplash10-001i-0900000000-6ee8463980d646f88fbb2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenanthridine 55V, Positive-QTOFsplash10-0zfr-1900000000-d016892ba6b03046b0d12021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenanthridine 45V, Positive-QTOFsplash10-001i-0900000000-5eef66bb7d54c1bdd54f2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenanthridine 65V, Positive-QTOFsplash10-0udi-4900000000-57f015bc997c6bd3f8592021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenanthridine 105V, Positive-QTOFsplash10-001i-0900000000-08bba4f5eb9f227f804d2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenanthridine 90V, Positive-QTOFsplash10-001i-0900000000-35f59fbf3a204749ca8a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenanthridine 150V, Positive-QTOFsplash10-0udi-0900000000-b310d303bc9608724e482021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenanthridine 120V, Positive-QTOFsplash10-0udi-0900000000-dd5d0816a77189f33ef32021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Phenanthridine 35V, Positive-QTOFsplash10-001i-0900000000-a5b0ca159a9258ef014d2021-09-20HMDB team, MONAView 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 IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID8834
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPhenanthridine
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID36421
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 ]