Hmdb loader

Showing metabocard for Osilodrostat (HMDB0253998)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesXML
Show more...Show more...Show more...
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 12:57:58 UTC
Update Date2021-09-26 23:07:40 UTC
HMDB IDHMDB0253998
Secondary Accession NumbersNone
Metabolite Identification
Common NameOsilodrostat
DescriptionOsilodrostat belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent. Based on a literature review a significant number of articles have been published on Osilodrostat. This compound has been identified in human blood as reported by (PMID: 31557052 ). Osilodrostat is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Osilodrostat 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
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0253998 (Osilodrostat)

  Mrv1652309112114582D          

 17 19  0  0  0  0            999 V2000
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117   -3.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498   -4.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -4.8455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -2.1486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  8  1  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
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  3  0  0  0  0
 10 17  1  0  0  0  0
M  END
Download

3D MOL for HMDB0253998 (Osilodrostat)

HMDB0253998
     RDKit          3D
Osilodrostat
 27 29  0  0  0  0  0  0  0  0999 V2000
    5.9596   -0.4118   -0.9931 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8209   -0.3938   -0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4356   -0.3603   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -0.1980    0.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6764   -0.1727    1.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049   -0.3056    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010   -0.2696    0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5592   -1.3725    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9291   -0.8202    0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7133    0.6180    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.7785   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3863    2.7190   -0.4896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    2.1911   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4039    0.9040    0.1586 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1337   -0.4665   -1.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390   -0.5953   -2.0368 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4851   -0.4920   -1.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7872   -0.0944    1.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435   -0.0453    2.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8051   -0.2993    1.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3679   -2.3637    0.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6427   -1.4159   -1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0205   -0.8040    1.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7513   -1.2886   -0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4132    1.8761   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2137    2.7016   -0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8056   -0.6188   -2.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  6 15  1  0
 15 16  1  0
 15 17  2  0
 17  3  1  0
 14  7  1  0
 14 10  1  0
  4 18  1  0
  5 19  1  0
  7 20  1  0
  8 21  1  0
  8 22  1  0
  9 23  1  0
  9 24  1  0
 11 25  1  0
 13 26  1  0
 17 27  1  0
M  END
Download

3D SDF for HMDB0253998 (Osilodrostat)

  Mrv1652309112114582D          

 17 19  0  0  0  0            999 V2000
    0.7846   -0.2549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542    0.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3237   -0.2549    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8388   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0542   -0.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695   -0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0146   -1.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5666   -2.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3117   -3.1047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5047   -3.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0473   -2.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2076   -1.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498   -4.0609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0052   -4.8455    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3736   -2.1486    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  6  7  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  1  8  1  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
  9 14  1  0  0  0  0
 12 15  1  0  0  0  0
 15 16  3  0  0  0  0
 10 17  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0253998

> <DATABASE_NAME>
hmdb

> <SMILES>
FC1=C(C=CC(=C1)C#N)C1CCC2=CN=CN12

> <INCHI_IDENTIFIER>
InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2

> <INCHI_KEY>
USUZGMWDZDXMDG-UHFFFAOYSA-N

> <FORMULA>
C13H10FN3

> <MOLECULAR_WEIGHT>
227.242

> <EXACT_MASS>
227.085875497

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
22.553339242905622

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-fluoro-4-{5H,6H,7H-pyrrolo[1,2-c]imidazol-5-yl}benzonitrile

> <ALOGPS_LOGP>
2.18

> <JCHEM_LOGP>
2.1100410056666665

> <ALOGPS_LOGS>
-2.81

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.147826327500571

> <JCHEM_POLAR_SURFACE_AREA>
41.61

> <JCHEM_REFRACTIVITY>
62.0724

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
3.56e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-fluoro-4-{5H,6H,7H-pyrrolo[1,2-c]imidazol-5-yl}benzonitrile

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0253998 (Osilodrostat)

HMDB0253998
     RDKit          3D
Osilodrostat
 27 29  0  0  0  0  0  0  0  0999 V2000
    5.9596   -0.4118   -0.9931 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8209   -0.3938   -0.7006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4356   -0.3603   -0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -0.1980    0.9486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6764   -0.1727    1.2274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049   -0.3056    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7010   -0.2696    0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5592   -1.3725    0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9291   -0.8202    0.5147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7133    0.6180    0.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3333    1.7785   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3863    2.7190   -0.4896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1853    2.1911   -0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4039    0.9040    0.1586 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1337   -0.4665   -1.0612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390   -0.5953   -2.0368 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4851   -0.4920   -1.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7872   -0.0944    1.7241 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3435   -0.0453    2.2539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8051   -0.2993    1.7129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3679   -2.3637    0.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6427   -1.4159   -1.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0205   -0.8040    1.6111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7513   -1.2886   -0.0267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4132    1.8761   -0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2137    2.7016   -0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8056   -0.6188   -2.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
  6 15  1  0
 15 16  1  0
 15 17  2  0
 17  3  1  0
 14  7  1  0
 14 10  1  0
  4 18  1  0
  5 19  1  0
  7 20  1  0
  8 21  1  0
  8 22  1  0
  9 23  1  0
  9 24  1  0
 11 25  1  0
 13 26  1  0
 17 27  1  0
M  END
Download

PDB for HMDB0253998 (Osilodrostat)

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       1.465  -0.476   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.370   0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.834   0.294   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.299   0.770   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0       6.204  -0.476   0.000  0.00  0.00           N+0
HETATM    6  C   UNK     0       5.299  -1.722   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       3.834  -1.246   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0       2.370  -1.722   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.894  -3.186   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.924  -4.331   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.449  -5.795   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.942  -6.116   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.088  -4.971   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.388  -3.507   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.466  -7.580   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0      -0.010  -9.045   0.000  0.00  0.00           N+0
HETATM   17  F   UNK     0       4.431  -4.011   0.000  0.00  0.00           F+0
CONECT    1    2    8                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    7                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    3    8                                                  
CONECT    8    7    1    9                                                  
CONECT    9    8   10   14                                                  
CONECT   10    9   11   17                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   15                                                  
CONECT   13   12   14                                                       
CONECT   14   13    9                                                       
CONECT   15   12   16                                                       
CONECT   16   15                                                            
CONECT   17   10                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   38    0
END
Download

3D PDB for HMDB0253998 (Osilodrostat)

COMPND    HMDB0253998
HETATM    1  N1  UNL     1       5.960  -0.412  -0.993  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.821  -0.394  -0.701  1.00  0.00           C  
HETATM    3  C2  UNL     1       3.436  -0.360  -0.356  1.00  0.00           C  
HETATM    4  C3  UNL     1       3.034  -0.198   0.949  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.676  -0.173   1.227  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.705  -0.306   0.235  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.701  -0.270   0.591  1.00  0.00           C  
HETATM    8  C7  UNL     1      -1.559  -1.373   0.073  1.00  0.00           C  
HETATM    9  C8  UNL     1      -2.929  -0.820   0.515  1.00  0.00           C  
HETATM   10  C9  UNL     1      -2.713   0.618   0.109  1.00  0.00           C  
HETATM   11  C10 UNL     1      -3.333   1.779  -0.304  1.00  0.00           C  
HETATM   12  N2  UNL     1      -2.386   2.719  -0.490  1.00  0.00           N  
HETATM   13  C11 UNL     1      -1.185   2.191  -0.207  1.00  0.00           C  
HETATM   14  N3  UNL     1      -1.404   0.904   0.159  1.00  0.00           N  
HETATM   15  C12 UNL     1       1.134  -0.466  -1.061  1.00  0.00           C  
HETATM   16  F1  UNL     1       0.239  -0.595  -2.037  1.00  0.00           F  
HETATM   17  C13 UNL     1       2.485  -0.492  -1.343  1.00  0.00           C  
HETATM   18  H1  UNL     1       3.787  -0.094   1.724  1.00  0.00           H  
HETATM   19  H2  UNL     1       1.343  -0.045   2.254  1.00  0.00           H  
HETATM   20  H3  UNL     1      -0.805  -0.299   1.713  1.00  0.00           H  
HETATM   21  H4  UNL     1      -1.368  -2.364   0.464  1.00  0.00           H  
HETATM   22  H5  UNL     1      -1.643  -1.416  -1.036  1.00  0.00           H  
HETATM   23  H6  UNL     1      -3.021  -0.804   1.611  1.00  0.00           H  
HETATM   24  H7  UNL     1      -3.751  -1.289  -0.027  1.00  0.00           H  
HETATM   25  H8  UNL     1      -4.413   1.876  -0.444  1.00  0.00           H  
HETATM   26  H9  UNL     1      -0.214   2.702  -0.261  1.00  0.00           H  
HETATM   27  H10 UNL     1       2.806  -0.619  -2.364  1.00  0.00           H  
CONECT    1    2    2    2
CONECT    2    3
CONECT    3    4    4   17
CONECT    4    5   18
CONECT    5    6    6   19
CONECT    6    7   15
CONECT    7    8   14   20
CONECT    8    9   21   22
CONECT    9   10   23   24
CONECT   10   11   11   14
CONECT   11   12   25
CONECT   12   13   13
CONECT   13   14   26
CONECT   15   16   17   17
CONECT   17   27
END
Download

SMILES for HMDB0253998 (Osilodrostat)

FC1=C(C=CC(=C1)C#N)C1CCC2=CN=CN12
Download

INCHI for HMDB0253998 (Osilodrostat)

InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2
Download
View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC13H10FN3
Average Molecular Weight227.242
Monoisotopic Molecular Weight227.085875497
IUPAC Name3-fluoro-4-{5H,6H,7H-pyrrolo[1,2-c]imidazol-5-yl}benzonitrile
Traditional Name3-fluoro-4-{5H,6H,7H-pyrrolo[1,2-c]imidazol-5-yl}benzonitrile
CAS Registry NumberNot Available
SMILES
FC1=C(C=CC(=C1)C#N)C1CCC2=CN=CN12
InChI Identifier
InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2
InChI KeyUSUZGMWDZDXMDG-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassBenzonitriles
Direct ParentBenzonitriles
Alternative Parents
Substituents
  • Benzonitrile
  • Fluorobenzene
  • Halobenzene
  • Aryl fluoride
  • Aryl halide
  • N-substituted imidazole
  • Azole
  • Heteroaromatic compound
  • Imidazole
  • Azacycle
  • Organoheterocyclic compound
  • Carbonitrile
  • Nitrile
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organofluoride
  • Organohalogen compound
  • Cyanide
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
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
Predicted Chromatographic Properties
Spectra
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 ID57579719
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOsilodrostat
METLIN IDNot Available
PubChem Compound58827053
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 ]