NP-MRD: Showing NP-Card for protomycinolide iv (NP0196489)

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Record Information

Version

2.0

Created at

2022-09-04 14:35:33 UTC

Updated at

2022-09-04 14:35:33 UTC

NP-MRD ID

NP0196489

Secondary Accession Numbers

None

Natural Product Identification

Common Name

protomycinolide iv

Description

Protomycinolide IV belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. Protomycinolide IV is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. protomycinolide iv is found in Micromonospora griseorubida. protomycinolide iv was first documented in 2012 (PMID: 22547618). Based on a literature review very few articles have been published on Protomycinolide IV.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 57 57  0  0  0  0  0  0  0  0999 V2000
    4.1168    2.0052   -0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239    0.8670   -0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    0.3814    0.4941 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5880    1.2970    1.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4777    2.6760    0.9003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9868    3.5031    1.7707 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8257    3.3143   -0.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4457    3.3888   -0.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6117    2.8411    0.1999 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3754    2.6499    1.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1640    1.6511   -0.5079 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6155    1.6256   -1.7991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9261    0.3332    0.1934 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9625    0.1138    1.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1787   -0.7408   -0.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9300   -2.1101   -0.3159 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1903   -2.9612   -0.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542   -2.7911   -1.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7060   -2.3981   -2.3183 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0059   -3.8336   -0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6814   -3.8201    0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7226   -2.7501    1.4860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1880   -1.5360    1.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7957   -0.9485    0.1347 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9504   -1.8297   -0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7373    2.9404   -0.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1409    2.0215    0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1863    1.8328   -0.4404 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6045    1.2111   -1.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9217    0.0727   -0.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1962    0.1033    1.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5700    3.8248   -0.9137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7374    3.9237   -1.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4612    3.6205    0.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3558    2.8325    2.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9397    1.7009    1.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7404    3.5278    1.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2522    1.7800   -0.6584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2074    2.1235   -2.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8957    0.2671    0.5616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6519    0.9909    1.3797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5012   -0.0899    2.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6596   -0.7374    1.0196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2132   -0.5902   -1.2202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.5047   -1.6874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6239   -2.0000    0.7432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9073   -3.9590   -0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9495   -2.4655   -0.9540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5812   -3.1170    0.7261 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0746   -4.7319   -1.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2831   -4.7243    0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3120   -3.0026    2.4904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1144   -0.8648    2.2185 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1220   -0.7533   -0.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8852   -1.5383    0.2119 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1387   -1.7311   -1.4261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8078   -2.8915   -0.1446 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24  3  1  0
  1 26  1  0
  1 27  1  0
  1 28  1  0
  2 29  1  0
  2 30  1  0
  3 31  1  1
  7 32  1  0
  8 33  1  0
  9 34  1  1
 10 35  1  0
 10 36  1  0
 10 37  1  0
 11 38  1  6
 12 39  1  0
 13 40  1  1
 14 41  1  0
 14 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  1
 17 47  1  0
 17 48  1  0
 17 49  1  0
 20 50  1  0
 21 51  1  0
 22 52  1  0
 23 53  1  0
 24 54  1  6
 25 55  1  0
 25 56  1  0
 25 57  1  0
M  END


  Mrv1652309042216352D          

 25 25  0  0  1  0            999 V2000
    2.1778    3.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5730    2.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0925    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5386    1.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    1.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7929    2.0528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7586    0.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3290   -0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7242   -0.8043    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5490   -0.8241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2946   -1.5086    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6898   -2.2328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699   -1.4888    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8651   -2.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0403   -2.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2156   -2.1733    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7860   -2.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8204   -1.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044   -1.4292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499   -0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547   -0.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2843    0.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891    1.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3187    2.1123    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9235    2.8365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 13  1  0  0  0  0
 13 14  1  6  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  1  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
  3 24  1  0  0  0  0
 24 25  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0196489

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)\C=C\C=C\[C@@H]1C

> <INCHI_IDENTIFIER>
InChI=1S/C21H32O4/c1-6-19-14(2)9-7-8-10-18(22)16(4)13-17(5)21(24)15(3)11-12-20(23)25-19/h7-12,14-17,19,21,24H,6,13H2,1-5H3/b9-7+,10-8+,12-11+/t14-,15-,16+,17-,19+,21+/m0/s1

> <INCHI_KEY>
OKKXFUWPZCKUST-BLBACJNTSA-N

> <FORMULA>
C21H32O4

> <MOLECULAR_WEIGHT>
348.483

> <EXACT_MASS>
348.23005951

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
57

> <JCHEM_AVERAGE_POLARIZABILITY>
39.6650097813803

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(3E,5S,6S,7S,9R,11E,13E,15S,16R)-16-ethyl-6-hydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

> <JCHEM_LOGP>
4.917931201333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
19.70237404638778

> <JCHEM_PKA_STRONGEST_ACIDIC>
17.829535065119813

> <JCHEM_PKA_STRONGEST_BASIC>
-0.7419293131535926

> <JCHEM_POLAR_SURFACE_AREA>
63.6

> <JCHEM_REFRACTIVITY>
103.4653

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
protomycinolide IV

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       4.065   6.573   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.803   5.221   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001   3.906   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       4.739   2.554   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.278   2.517   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       7.080   3.832   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       7.016   1.165   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.214  -0.149   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.952  -1.501   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.491  -1.538   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.150  -2.816   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       6.888  -4.168   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       4.610  -2.779   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.348  -4.131   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.809  -4.094   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.269  -4.057   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.467  -5.372   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.531  -2.705   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -0.008  -2.668   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       2.333  -1.390   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.595  -0.038   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.397   1.276   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.660   2.628   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       2.461   3.943   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       1.724   5.295   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   24                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23    3   25                                                  
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₃₂O₄

Average Mass

348.4830 Da

Monoisotopic Mass

348.23006 Da

IUPAC Name

(3E,5S,6S,7S,9R,11E,13E,15S,16R)-16-ethyl-6-hydroxy-5,7,9,15-tetramethyl-1-oxacyclohexadeca-3,11,13-triene-2,10-dione

Traditional Name

protomycinolide IV

CAS Registry Number

Not Available

SMILES

CC[C@H]1OC(=O)\C=C\[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)\C=C\C=C\[C@@H]1C

InChI Identifier

InChI=1S/C21H32O4/c1-6-19-14(2)9-7-8-10-18(22)16(4)13-17(5)21(24)15(3)11-12-20(23)25-19/h7-12,14-17,19,21,24H,6,13H2,1-5H3/b9-7+,10-8+,12-11+/t14-,15-,16+,17-,19+,21+/m0/s1

InChI Key

OKKXFUWPZCKUST-BLBACJNTSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Micromonospora griseorubida	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Carboxylic acid ester
Ketone
Lactone
Secondary alcohol
Cyclic ketone
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Oxacycle
Organooxygen compound
Organic oxygen compound
Carbonyl group
Alcohol
Organic oxide
Hydrocarbon derivative
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

macrolide (CHEBI:80021 )

Physical Properties

State

Not Available

Experimental 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

Predicted Properties

Property	Value	Source
logP	4.92	ChemAxon
pKa (Strongest Acidic)	17.83	ChemAxon
pKa (Strongest Basic)	-0.74	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	63.6 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	103.47 m³·mol⁻¹	ChemAxon
Polarizability	39.67 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8150657

KEGG Compound ID

C15685

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9975065

PDB ID

Not Available

ChEBI ID

80021

Good Scents ID

Not Available

References

General References

Anzai Y, Tsukada S, Sakai A, Masuda R, Harada C, Domeki A, Li S, Kinoshita K, Sherman DH, Kato F: Function of cytochrome P450 enzymes MycCI and MycG in Micromonospora griseorubida, a producer of the macrolide antibiotic mycinamicin. Antimicrob Agents Chemother. 2012 Jul;56(7):3648-56. doi: 10.1128/AAC.06063-11. Epub 2012 Apr 30. [PubMed:22547618 ]
LOTUS database [Link]

Showing NP-Card for protomycinolide iv (NP0196489)

MOL for NP0196489 (protomycinolide iv)

3D MOL for NP0196489 (protomycinolide iv)

3D SDF for NP0196489 (protomycinolide iv)

3D-SDF for NP0196489 (protomycinolide iv)

PDB for NP0196489 (protomycinolide iv)

3D PDB for NP0196489 (protomycinolide iv)

SMILES for NP0196489 (protomycinolide iv)

INCHI for NP0196489 (protomycinolide iv)

Structure for NP0196489 (protomycinolide iv)

3D Structure for NP0196489 (protomycinolide iv)