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Showing metabocard for Favipiravir (HMDB0252176)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2021-09-11 09:57:44 UTC
Update Date2021-09-26 23:04:35 UTC
HMDB IDHMDB0252176
Secondary Accession NumbersNone
Metabolite Identification
Common NameFavipiravir
DescriptionFavipiravir, also known as avigan or favipira, belongs to the class of organic compounds known as pyrazinecarboxamides. Pyrazinecarboxamides are compounds containing a pyrazine ring which bears a carboxamide. Based on a literature review a significant number of articles have been published on Favipiravir. This compound has been identified in human blood as reported by (PMID: 31557052 ). Favipiravir is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Favipiravir 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 HMDB0252176 (Favipiravir)


  Mrv1652310211600302D          

 11 11  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 F   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
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
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3D MOL for HMDB0252176 (Favipiravir)

HMDB0252176
     RDKit          3D
Favipiravir
 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.0827   -1.7369    0.1337 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1602   -1.0893   -0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1988   -1.2926   -1.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876   -0.1926   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675    0.0137    1.2302 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7494    0.8518    1.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313    1.0244    3.0931 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6677    1.5035    0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199    1.2760   -0.3928 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7164    0.4459   -0.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6568    0.2048   -2.3036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0105   -1.3078    0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812   -2.6561    0.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    2.1683    1.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0591    0.7871   -3.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10  4  1  0
  1 12  1  0
  1 13  1  0
  8 14  1  0
 11 15  1  0
M  END
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3D SDF for HMDB0252176 (Favipiravir)


  Mrv1652310211600302D          

 11 11  0  0  0  0            999 V2000
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    2.0625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 F   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
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0252176

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(=O)C1=NC(F)=CN=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)

> <INCHI_KEY>
ZCGNOVWYSGBHAU-UHFFFAOYSA-N

> <FORMULA>
C5H4FN3O2

> <MOLECULAR_WEIGHT>
157.104

> <EXACT_MASS>
157.028754544

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
15

> <JCHEM_AVERAGE_POLARIZABILITY>
12.123880045104949

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-fluoro-3-hydroxypyrazine-2-carboxamide

> <ALOGPS_LOGP>
0.49

> <JCHEM_LOGP>
0.25191639600000004

> <ALOGPS_LOGS>
-1.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.579307723139326

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.39401731404916

> <JCHEM_PKA_STRONGEST_BASIC>
-3.9056803352276295

> <JCHEM_POLAR_SURFACE_AREA>
89.10000000000001

> <JCHEM_REFRACTIVITY>
33.9761

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.70e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
favipiravir

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0252176 (Favipiravir)

HMDB0252176
     RDKit          3D
Favipiravir
 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.0827   -1.7369    0.1337 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1602   -1.0893   -0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1988   -1.2926   -1.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876   -0.1926   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1675    0.0137    1.2302 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7494    0.8518    1.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313    1.0244    3.0931 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.6677    1.5035    0.9431 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6199    1.2760   -0.3928 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7164    0.4459   -0.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6568    0.2048   -2.3036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0105   -1.3078    0.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7812   -2.6561    0.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    2.1683    1.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0591    0.7871   -3.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10  4  1  0
  1 12  1  0
  1 13  1  0
  8 14  1  0
 11 15  1  0
M  END
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PDB for HMDB0252176 (Favipiravir)

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       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -0.000   0.000   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       2.667   1.540   0.000  0.00  0.00           N+0
HETATM    7  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.667   1.540   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0      -1.334   3.850   0.000  0.00  0.00           N+0
HETATM   11  F   UNK     0       1.334  -2.310   0.000  0.00  0.00           F+0
CONECT    1    2    6                                                       
CONECT    2    1    3   11                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    8                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5    1                                                       
CONECT    7    5                                                            
CONECT    8    4    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    2                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0252176 (Favipiravir)

COMPND    HMDB0252176
HETATM    1  N1  UNL     1      -2.083  -1.737   0.134  1.00  0.00           N  
HETATM    2  C1  UNL     1      -1.160  -1.089  -0.732  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.199  -1.293  -1.951  1.00  0.00           O  
HETATM    4  C2  UNL     1      -0.188  -0.193  -0.120  1.00  0.00           C  
HETATM    5  N2  UNL     1      -0.167   0.014   1.230  1.00  0.00           N  
HETATM    6  C3  UNL     1       0.749   0.852   1.754  1.00  0.00           C  
HETATM    7  F1  UNL     1       0.731   1.024   3.093  1.00  0.00           F  
HETATM    8  C4  UNL     1       1.668   1.503   0.943  1.00  0.00           C  
HETATM    9  N3  UNL     1       1.620   1.276  -0.393  1.00  0.00           N  
HETATM   10  C5  UNL     1       0.716   0.446  -0.940  1.00  0.00           C  
HETATM   11  O2  UNL     1       0.657   0.205  -2.304  1.00  0.00           O  
HETATM   12  H1  UNL     1      -3.011  -1.308   0.358  1.00  0.00           H  
HETATM   13  H2  UNL     1      -1.781  -2.656   0.527  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.388   2.168   1.401  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.059   0.787  -3.001  1.00  0.00           H  
CONECT    1    2   12   13
CONECT    2    3    3    4
CONECT    4    5    5   10
CONECT    5    6
CONECT    6    7    8    8
CONECT    8    9   14
CONECT    9   10   10
CONECT   10   11
CONECT   11   15
END
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SMILES for HMDB0252176 (Favipiravir)

NC(=O)C1=NC(F)=CN=C1O
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INCHI for HMDB0252176 (Favipiravir)

InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
6-Fluoro-3-hydroxy-2-pyrazinecarboxamideChEBI
AreplivirChEBI
AvifavirChEBI
AviganChEBI
FapilavirChEBI
FavilavirChEBI
FavipiraChEBI
FavipiravirumChEBI
T 705ChEBI
T-705ChEBI
T705ChEBI
ABBR FPVKegg
T-705 CPDMeSH
T-705FavipiravirChEMBL
Chemical FormulaC5H4FN3O2
Average Molecular Weight157.104
Monoisotopic Molecular Weight157.028754544
IUPAC Name6-fluoro-3-hydroxypyrazine-2-carboxamide
Traditional Namefavipiravir
CAS Registry NumberNot Available
SMILES
NC(=O)C1=NC(F)=CN=C1O
InChI Identifier
InChI=1S/C5H4FN3O2/c6-2-1-8-5(11)3(9-2)4(7)10/h1H,(H2,7,10)(H,8,11)
InChI KeyZCGNOVWYSGBHAU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as pyrazinecarboxamides. Pyrazinecarboxamides are compounds containing a pyrazine ring which bears a carboxamide.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrazines
Direct ParentPyrazinecarboxamides
Alternative Parents
Substituents
  • Pyrazinecarboxamide
  • 2-heteroaryl carboxamide
  • Aryl fluoride
  • Aryl halide
  • Vinylogous amide
  • Heteroaromatic compound
  • Carboxamide group
  • Lactam
  • Primary carboxylic acid amide
  • Carboxylic acid derivative
  • Azacycle
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organofluoride
  • Organohalogen compound
  • Organic nitrogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic 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
logP0.49ALOGPS
logP0.25ChemAxon
logS-1.3ALOGPS
pKa (Strongest Acidic)9.39ChemAxon
pKa (Strongest Basic)-3.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area89.1 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity33.98 m³·mol⁻¹ChemAxon
Polarizability12.12 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+132.78430932474
DeepCCS[M-H]-130.38430932474
DeepCCS[M-2H]-166.34730932474
DeepCCS[M+Na]+141.31530932474
AllCCS[M+H]+133.632859911
AllCCS[M+H-H2O]+129.132859911
AllCCS[M+NH4]+137.732859911
AllCCS[M+Na]+138.932859911
AllCCS[M-H]-125.232859911
AllCCS[M+Na-2H]-126.532859911
AllCCS[M+HCOO]-128.032859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
FavipiravirNC(=O)C1=NC(F)=CN=C1O2115.8Standard polar33892256
FavipiravirNC(=O)C1=NC(F)=CN=C1O1355.1Standard non polar33892256
FavipiravirNC(=O)C1=NC(F)=CN=C1O1408.0Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Favipiravir,2TMS,isomer #1C[Si](C)(C)NC(=O)C1=NC(F)=CN=C1O[Si](C)(C)C1569.8Semi standard non polar33892256
Favipiravir,2TMS,isomer #1C[Si](C)(C)NC(=O)C1=NC(F)=CN=C1O[Si](C)(C)C1536.9Standard non polar33892256
Favipiravir,2TMS,isomer #1C[Si](C)(C)NC(=O)C1=NC(F)=CN=C1O[Si](C)(C)C2252.4Standard polar33892256
Favipiravir,2TMS,isomer #2C[Si](C)(C)N(C(=O)C1=NC(F)=CN=C1O)[Si](C)(C)C1603.6Semi standard non polar33892256
Favipiravir,2TMS,isomer #2C[Si](C)(C)N(C(=O)C1=NC(F)=CN=C1O)[Si](C)(C)C1662.1Standard non polar33892256
Favipiravir,2TMS,isomer #2C[Si](C)(C)N(C(=O)C1=NC(F)=CN=C1O)[Si](C)(C)C2124.7Standard polar33892256
Favipiravir,3TMS,isomer #1C[Si](C)(C)OC1=NC=C(F)N=C1C(=O)N([Si](C)(C)C)[Si](C)(C)C1691.9Semi standard non polar33892256
Favipiravir,3TMS,isomer #1C[Si](C)(C)OC1=NC=C(F)N=C1C(=O)N([Si](C)(C)C)[Si](C)(C)C1702.8Standard non polar33892256
Favipiravir,3TMS,isomer #1C[Si](C)(C)OC1=NC=C(F)N=C1C(=O)N([Si](C)(C)C)[Si](C)(C)C1977.2Standard polar33892256
Favipiravir,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C1=NC(F)=CN=C1O[Si](C)(C)C(C)(C)C2023.1Semi standard non polar33892256
Favipiravir,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C1=NC(F)=CN=C1O[Si](C)(C)C(C)(C)C1964.7Standard non polar33892256
Favipiravir,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)C1=NC(F)=CN=C1O[Si](C)(C)C(C)(C)C2438.8Standard polar33892256
Favipiravir,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=O)C1=NC(F)=CN=C1O)[Si](C)(C)C(C)(C)C2079.8Semi standard non polar33892256
Favipiravir,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=O)C1=NC(F)=CN=C1O)[Si](C)(C)C(C)(C)C2020.3Standard non polar33892256
Favipiravir,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(=O)C1=NC(F)=CN=C1O)[Si](C)(C)C(C)(C)C2282.2Standard polar33892256
Favipiravir,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC=C(F)N=C1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2309.3Semi standard non polar33892256
Favipiravir,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC=C(F)N=C1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2303.1Standard non polar33892256
Favipiravir,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC1=NC=C(F)N=C1C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2308.8Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Favipiravir GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a4l-9700000000-8e6268a2a95cda13e7b12017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Favipiravir GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Favipiravir GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Favipiravir GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Favipiravir GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Favipiravir GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-04Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 10V, Positive-QTOFsplash10-0a4i-0900000000-57012bc0f6199c1f68882017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 20V, Positive-QTOFsplash10-0006-1900000000-eaa910e78dad1d6309732017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 40V, Positive-QTOFsplash10-00di-9000000000-ecab29e0cab76ee104162017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 10V, Negative-QTOFsplash10-0a4i-0900000000-cfe730bc1dcc70c635022017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 20V, Negative-QTOFsplash10-0btc-5900000000-adbcd98a7dca372b8e452017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 40V, Negative-QTOFsplash10-006x-9100000000-11e2b593e120c8f83c5b2017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 10V, Positive-QTOFsplash10-0006-0900000000-8f0a70a4b84aa23a86ac2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 20V, Positive-QTOFsplash10-00kf-0900000000-01d683092297f774c31e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 40V, Positive-QTOFsplash10-052p-9000000000-55cff9f7d687bc8dd8512021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 10V, Negative-QTOFsplash10-0a4i-0900000000-de46bcb332faa0342fe62021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 20V, Negative-QTOFsplash10-0cdi-9800000000-e53a5fab1c131474cf5e2021-10-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Favipiravir 40V, Negative-QTOFsplash10-0006-9000000000-8cfdfa44904d70ebd0b72021-10-12Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-10-13Wishart 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 IDDB12466
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID431002
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFavipiravir
METLIN IDNot Available
PubChem Compound492405
PDB IDNot Available
ChEBI ID134722
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 ]