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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 02:18:16 UTC

Update Date

2021-09-26 22:59:19 UTC

HMDB ID

HMDB0248821

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Zidovudine monophosphate

Description

Zidovudine monophosphate, also known as AZTMP or ZDV 5'-monophosphate, belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Based on a literature review a significant number of articles have been published on Zidovudine monophosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). Zidovudine monophosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Zidovudine monophosphate 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

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0248821
     RDKit          3D
Zidovudine monophosphate
 37 38  0  0  0  0  0  0  0  0999 V2000
   -5.3246   -0.9325   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1494   -0.0182   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8892   -0.5447   -0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722    0.3224   -0.5180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079   -0.1259   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -1.3446    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3041   -1.1045    0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244   -1.3130    1.9682 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295   -0.9747    2.5801 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.3472   -1.1469    3.4102 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.4752    0.3253    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    0.5279   -0.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -0.3715   -0.6823 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    0.3111   -0.2938 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4126    1.4564   -1.0718 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8223    0.7788    1.3935 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0781   -0.9462   -0.2645 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    0.9355   -0.0663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908    1.6337   -0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476    2.4316   -0.7734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345    2.1346   -0.7467 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3996    1.3406   -0.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5752    1.7658   -0.6744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7442   -1.1334   -1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0626   -0.3496    0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0156   -1.8510    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7560   -1.6073   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2450   -0.2905   -1.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -1.4260    1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2351   -2.2821   -0.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9419   -1.7678   -0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9471    0.8773    1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.1234   -1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7163    1.5230   -1.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386    1.6635    1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5652   -1.7985   -0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5098    3.1783   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  2  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 11 18  1  0
  4 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22  2  1  0
 18  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 16 35  1  0
 17 36  1  0
 21 37  1  0
M  CHG  2   9   1  10  -1
M  END


  Mrv1652309112104182D          

 23 24  0  0  0  0            999 V2000
    0.1067    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    4.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    3.1152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    3.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    3.1152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    4.3527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    5.5902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6548    1.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9097    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7347    1.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9897    1.8053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197    0.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401    0.4394    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5251   -0.2280    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0100   -0.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1925    0.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8576   -0.7129    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4248    0.3532    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7604   -0.4005    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.0959   -1.1542    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  2  8  1  0  0  0  0
  8  9  2  0  0  0  0
  4 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 10 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  2  0  0  0  0
M  CHG  2  22   1  23  -1
M  END
> <DATABASE_ID>
HMDB0248821

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1=CN(C2CC(N=[N+]=[N-])C(COP(O)(O)=O)O2)C(=O)NC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)

> <INCHI_KEY>
OIFWQOKDSPDILA-UHFFFAOYSA-N

> <FORMULA>
C10H14N5O7P

> <MOLECULAR_WEIGHT>
347.224

> <EXACT_MASS>
347.063084809

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
29.78794233142156

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid

> <ALOGPS_LOGP>
-0.04

> <JCHEM_LOGP>
-0.422275189666666

> <ALOGPS_LOGS>
-2.09

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.284404887112204

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.2587413543611152

> <JCHEM_PKA_STRONGEST_BASIC>
-4.188444791693674

> <JCHEM_POLAR_SURFACE_AREA>
154.82999999999998

> <JCHEM_REFRACTIVITY>
72.57740000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.84e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[3-azido-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0248821
     RDKit          3D
Zidovudine monophosphate
 37 38  0  0  0  0  0  0  0  0999 V2000
   -5.3246   -0.9325   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1494   -0.0182   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8892   -0.5447   -0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722    0.3224   -0.5180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079   -0.1259   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -1.3446    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3041   -1.1045    0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244   -1.3130    1.9682 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295   -0.9747    2.5801 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.3472   -1.1469    3.4102 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.4752    0.3253    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    0.5279   -0.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -0.3715   -0.6823 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    0.3111   -0.2938 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4126    1.4564   -1.0718 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8223    0.7788    1.3935 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0781   -0.9462   -0.2645 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    0.9355   -0.0663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908    1.6337   -0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476    2.4316   -0.7734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345    2.1346   -0.7467 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3996    1.3406   -0.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5752    1.7658   -0.6744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7442   -1.1334   -1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0626   -0.3496    0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0156   -1.8510    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7560   -1.6073   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2450   -0.2905   -1.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -1.4260    1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2351   -2.2821   -0.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9419   -1.7678   -0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9471    0.8773    1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.1234   -1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7163    1.5230   -1.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386    1.6635    1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5652   -1.7985   -0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5098    3.1783   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  2  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 11 18  1  0
  4 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22  2  1  0
 18  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 16 35  1  0
 17 36  1  0
 21 37  1  0
M  CHG  2   9   1  10  -1
M  END

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       0.199   8.895   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.134   8.125   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.134   6.585   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -2.468   5.815   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -3.802   6.585   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -5.136   5.815   0.000  0.00  0.00           O+0
HETATM    7  N   UNK     0      -3.802   8.125   0.000  0.00  0.00           N+0
HETATM    8  C   UNK     0      -2.468   8.895   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -2.468  10.435   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -2.468   4.275   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.222   3.370   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -1.698   1.905   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -3.238   1.905   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -3.714   3.370   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -4.143   0.659   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -5.675   0.820   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0      -6.580  -0.426   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      -7.485  -1.671   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      -7.826   0.480   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      -5.334  -1.331   0.000  0.00  0.00           O+0
HETATM   21  N   UNK     0      -0.793   0.659   0.000  0.00  0.00           N+0
HETATM   22  N   UNK     0      -1.419  -0.748   0.000  0.00  0.00           N+1
HETATM   23  N   UNK     0      -2.046  -2.154   0.000  0.00  0.00           N-1
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   10                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    2    9                                                  
CONECT    9    8                                                            
CONECT   10    4   11   14                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   21                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13   10                                                       
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17                                                            
CONECT   21   12   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

COMPND    HMDB0248821
HETATM    1  C1  UNL     1      -5.325  -0.932  -0.277  1.00  0.00           C  
HETATM    2  C2  UNL     1      -4.149  -0.018  -0.460  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.889  -0.545  -0.407  1.00  0.00           C  
HETATM    4  N1  UNL     1      -1.872   0.322  -0.518  1.00  0.00           N  
HETATM    5  C4  UNL     1      -0.508  -0.126  -0.557  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.197  -1.345   0.233  1.00  0.00           C  
HETATM    7  C6  UNL     1       1.304  -1.104   0.529  1.00  0.00           C  
HETATM    8  N2  UNL     1       1.424  -1.313   1.968  1.00  0.00           N  
HETATM    9  N3  UNL     1       2.429  -0.975   2.580  1.00  0.00           N1+
HETATM   10  N4  UNL     1       3.347  -1.147   3.410  1.00  0.00           N1-
HETATM   11  C7  UNL     1       1.475   0.325   0.184  1.00  0.00           C  
HETATM   12  C8  UNL     1       2.450   0.528  -0.990  1.00  0.00           C  
HETATM   13  O1  UNL     1       3.477  -0.372  -0.682  1.00  0.00           O  
HETATM   14  P1  UNL     1       4.932   0.311  -0.294  1.00  0.00           P  
HETATM   15  O2  UNL     1       5.413   1.456  -1.072  1.00  0.00           O  
HETATM   16  O3  UNL     1       4.822   0.779   1.393  1.00  0.00           O  
HETATM   17  O4  UNL     1       6.078  -0.946  -0.265  1.00  0.00           O  
HETATM   18  O5  UNL     1       0.286   0.935  -0.066  1.00  0.00           O  
HETATM   19  C9  UNL     1      -2.091   1.634  -0.686  1.00  0.00           C  
HETATM   20  O6  UNL     1      -1.148   2.432  -0.773  1.00  0.00           O  
HETATM   21  N5  UNL     1      -3.335   2.135  -0.747  1.00  0.00           N  
HETATM   22  C10 UNL     1      -4.400   1.341  -0.636  1.00  0.00           C  
HETATM   23  O7  UNL     1      -5.575   1.766  -0.674  1.00  0.00           O  
HETATM   24  H1  UNL     1      -5.744  -1.133  -1.276  1.00  0.00           H  
HETATM   25  H2  UNL     1      -6.063  -0.350   0.337  1.00  0.00           H  
HETATM   26  H3  UNL     1      -5.016  -1.851   0.247  1.00  0.00           H  
HETATM   27  H4  UNL     1      -2.756  -1.607  -0.318  1.00  0.00           H  
HETATM   28  H5  UNL     1      -0.245  -0.290  -1.651  1.00  0.00           H  
HETATM   29  H6  UNL     1      -0.782  -1.426   1.145  1.00  0.00           H  
HETATM   30  H7  UNL     1      -0.235  -2.282  -0.369  1.00  0.00           H  
HETATM   31  H8  UNL     1       1.942  -1.768  -0.064  1.00  0.00           H  
HETATM   32  H9  UNL     1       1.947   0.877   1.078  1.00  0.00           H  
HETATM   33  H10 UNL     1       1.892   0.123  -1.863  1.00  0.00           H  
HETATM   34  H11 UNL     1       2.716   1.523  -1.177  1.00  0.00           H  
HETATM   35  H12 UNL     1       4.339   1.664   1.343  1.00  0.00           H  
HETATM   36  H13 UNL     1       5.565  -1.798  -0.085  1.00  0.00           H  
HETATM   37  H14 UNL     1      -3.510   3.178  -0.935  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3    3   22
CONECT    3    4   27
CONECT    4    5   19
CONECT    5    6   18   28
CONECT    6    7   29   30
CONECT    7    8   11   31
CONECT    8    9    9
CONECT    9   10   10
CONECT   11   12   18   32
CONECT   12   13   33   34
CONECT   13   14
CONECT   14   15   15   16   17
CONECT   16   35
CONECT   17   36
CONECT   19   20   20   21
CONECT   21   22   37
CONECT   22   23   23
END

HMDB0248821
     RDKit          3D
Zidovudine monophosphate
 37 38  0  0  0  0  0  0  0  0999 V2000
   -5.3246   -0.9325   -0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1494   -0.0182   -0.4603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8892   -0.5447   -0.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8722    0.3224   -0.5180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5079   -0.1259   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1967   -1.3446    0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3041   -1.1045    0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4244   -1.3130    1.9682 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4295   -0.9747    2.5801 N   0  0  0  0  0  4  0  0  0  0  0  0
    3.3472   -1.1469    3.4102 N   0  0  0  0  0  2  0  0  0  0  0  0
    1.4752    0.3253    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    0.5279   -0.9901 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766   -0.3715   -0.6823 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9317    0.3111   -0.2938 P   0  0  0  0  0  5  0  0  0  0  0  0
    5.4126    1.4564   -1.0718 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8223    0.7788    1.3935 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0781   -0.9462   -0.2645 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2862    0.9355   -0.0663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0908    1.6337   -0.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1476    2.4316   -0.7734 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3345    2.1346   -0.7467 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3996    1.3406   -0.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5752    1.7658   -0.6744 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7442   -1.1334   -1.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0626   -0.3496    0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0156   -1.8510    0.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7560   -1.6073   -0.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2450   -0.2905   -1.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820   -1.4260    1.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2351   -2.2821   -0.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9419   -1.7678   -0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9471    0.8773    1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8917    0.1234   -1.8635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7163    1.5230   -1.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3386    1.6635    1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5652   -1.7985   -0.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5098    3.1783   -0.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  2  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 14 17  1  0
 11 18  1  0
  4 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22  2  1  0
 18  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  3 27  1  0
  5 28  1  0
  6 29  1  0
  6 30  1  0
  7 31  1  0
 11 32  1  0
 12 33  1  0
 12 34  1  0
 16 35  1  0
 17 36  1  0
 21 37  1  0
M  CHG  2   9   1  10  -1
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Zidovudine monophosphoric acid	Generator
3'-Azido-2',3'-deoxythymidine 5'-monophosphate	HMDB
3'-Azido-3'-deoxythymidine 5'-phosphate	HMDB
3'-Azido-3'-deoxythymidine 5'phosphate	HMDB
3'-Azido-3'-deoxythymidine 5'phosphate, diammonium salt	HMDB
3'-Azidodeoxythymidine monophosphate	HMDB
AZTMP	HMDB
ZDV 5'-monoPhosphate	HMDB
ZDVMP	HMDB
Zidovudine 5'-monophosphate	HMDB

Chemical Formula

C₁₀H₁₄N₅O₇P

Average Molecular Weight

347.224

Monoisotopic Molecular Weight

347.063084809

IUPAC Name

{[3-azido-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy}phosphonic acid

Traditional Name

[3-azido-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxyphosphonic acid

CAS Registry Number

Not Available

SMILES

CC1=CN(C2CC(N=[N+]=[N-])C(COP(O)(O)=O)O2)C(=O)NC1=O

InChI Identifier

InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)

InChI Key

OIFWQOKDSPDILA-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxypyrimidines. These are organic compounds containing a hydroxyl group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Diazines

Sub Class

Pyrimidines and pyrimidine derivatives

Direct Parent

Hydroxypyrimidines

Alternative Parents

Substituents

Hydroxypyrimidine
Monoalkyl phosphate
Pyrimidone
Hydropyrimidine
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Heteroaromatic compound
Tetrahydrofuran
Azo compound
Azo imide
Oxacycle
Azacycle
Organic nitrogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
logP	-0.04	ALOGPS
logP	-0.42	ChemAxon
logS	-2.1	ALOGPS
pKa (Strongest Acidic)	1.26	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	154.83 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	72.58 m³·mol⁻¹	ChemAxon
Polarizability	29.79 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	163.666	30932474
DeepCCS	[M-H]-	160.886	30932474
DeepCCS	[M-2H]-	196.013	30932474
DeepCCS	[M+Na]+	171.934	30932474
AllCCS	[M+H]+	173.0	32859911
AllCCS	[M+H-H2O]+	170.1	32859911
AllCCS	[M+NH4]+	175.8	32859911
AllCCS	[M+Na]+	176.6	32859911
AllCCS	[M-H]-	170.4	32859911
AllCCS	[M+Na-2H]-	170.1	32859911
AllCCS	[M+HCOO]-	169.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Zidovudine monophosphate	CC1=CN(C2CC(N=[N+]=[N-])C(COP(O)(O)=O)O2)C(=O)NC1=O	4121.6	Standard polar	33892256
Zidovudine monophosphate	CC1=CN(C2CC(N=[N+]=[N-])C(COP(O)(O)=O)O2)C(=O)NC1=O	2253.6	Standard non polar	33892256
Zidovudine monophosphate	CC1=CN(C2CC(N=[N+]=[N-])C(COP(O)(O)=O)O2)C(=O)NC1=O	2931.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Zidovudine monophosphate,1TMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	2966.2	Semi standard non polar	33892256
Zidovudine monophosphate,1TMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	2894.8	Standard non polar	33892256
Zidovudine monophosphate,1TMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	4607.5	Standard polar	33892256
Zidovudine monophosphate,1TMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	2958.2	Semi standard non polar	33892256
Zidovudine monophosphate,1TMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	2906.7	Standard non polar	33892256
Zidovudine monophosphate,1TMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O)O2)C(=O)N([Si](C)(C)C)C1=O	5125.6	Standard polar	33892256
Zidovudine monophosphate,2TMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	2969.6	Semi standard non polar	33892256
Zidovudine monophosphate,2TMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	2959.4	Standard non polar	33892256
Zidovudine monophosphate,2TMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)[NH]C1=O	4112.5	Standard polar	33892256
Zidovudine monophosphate,2TMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	2953.6	Semi standard non polar	33892256
Zidovudine monophosphate,2TMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	2972.6	Standard non polar	33892256
Zidovudine monophosphate,2TMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	4397.7	Standard polar	33892256
Zidovudine monophosphate,3TMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	2963.5	Semi standard non polar	33892256
Zidovudine monophosphate,3TMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3015.6	Standard non polar	33892256
Zidovudine monophosphate,3TMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O2)C(=O)N([Si](C)(C)C)C1=O	3942.2	Standard polar	33892256
Zidovudine monophosphate,1TBDMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	3200.9	Semi standard non polar	33892256
Zidovudine monophosphate,1TBDMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	3132.5	Standard non polar	33892256
Zidovudine monophosphate,1TBDMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4704.3	Standard polar	33892256
Zidovudine monophosphate,1TBDMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	3186.9	Semi standard non polar	33892256
Zidovudine monophosphate,1TBDMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	3145.1	Standard non polar	33892256
Zidovudine monophosphate,1TBDMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	5024.4	Standard polar	33892256
Zidovudine monophosphate,2TBDMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	3399.1	Semi standard non polar	33892256
Zidovudine monophosphate,2TBDMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	3388.8	Standard non polar	33892256
Zidovudine monophosphate,2TBDMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)[NH]C1=O	4268.9	Standard polar	33892256
Zidovudine monophosphate,2TBDMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	3411.2	Semi standard non polar	33892256
Zidovudine monophosphate,2TBDMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	3401.8	Standard non polar	33892256
Zidovudine monophosphate,2TBDMS,isomer #2	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4430.0	Standard polar	33892256
Zidovudine monophosphate,3TBDMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	3584.9	Semi standard non polar	33892256
Zidovudine monophosphate,3TBDMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	3594.6	Standard non polar	33892256
Zidovudine monophosphate,3TBDMS,isomer #1	CC1=CN(C2CC(N=[N+]=[N-])C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O2)C(=O)N([Si](C)(C)C(C)(C)C)C1=O	4079.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Zidovudine monophosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9311000000-321f4f80a8b0580e5130	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zidovudine monophosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-10-13	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

1542

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

1600

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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 ]

Showing metabocard for Zidovudine monophosphate (HMDB0248821)

MOL for HMDB0248821 (Zidovudine monophosphate)

3D MOL for HMDB0248821 (Zidovudine monophosphate)

3D SDF for HMDB0248821 (Zidovudine monophosphate)

3D-SDF for HMDB0248821 (Zidovudine monophosphate)

PDB for HMDB0248821 (Zidovudine monophosphate)

3D PDB for HMDB0248821 (Zidovudine monophosphate)

SMILES for HMDB0248821 (Zidovudine monophosphate)

INCHI for HMDB0248821 (Zidovudine monophosphate)

Structure for HMDB0248821 (Zidovudine monophosphate)

3D Structure for HMDB0248821 (Zidovudine monophosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

NMR Spectra