NP-MRD: Showing NP-Card for {[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid (NP0305815)

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Record Information

Version

2.0

Created at

2022-09-10 21:55:28 UTC

Updated at

2022-09-10 21:55:28 UTC

NP-MRD ID

NP0305815

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid

Description

Herbimycin C belongs to the class of organic compounds known as cyclic carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group), where the carboximidic acid group is part of a cycle. {[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid is found in Streptomyces hygroscopicus. {[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid was first documented in 1986 (PMID: 3793634). Based on a literature review very few articles have been published on Herbimycin C (PMID: 3236008).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102223552D          

 40 41  0  0  1  0            999 V2000
    4.3439    5.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8382    5.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1499    4.3175    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.6059    3.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1419    3.0029    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4182    3.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8085    2.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2691    2.8618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0303    3.6515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9920    2.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2957    2.4825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5458    2.1298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1339    2.5973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4842    1.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
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  3 37  1  0  0  0  0
 37 38  1  1  0  0  0
 15 39  1  0  0  0  0
 10 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309102223552D          

 40 41  0  0  1  0            999 V2000
    4.3439    5.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8382    5.0813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6997    0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2428    1.1174    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8016    0.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5555   -0.2769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9317    1.6079    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5233    1.0330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3171    1.2579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5192    2.0577    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9087    0.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3963    2.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2076    2.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2103    3.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6288    3.7133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1882    4.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9786    4.2530    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2886    5.0176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9011    1.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5829    0.7185    0.0000 O   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  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 16 15  1  4  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 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
 24 25  1  1  0  0  0
 25 26  1  0  0  0  0
 24 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  6  0  0  0
 35 37  1  0  0  0  0
  3 37  1  0  0  0  0
 37 38  1  1  0  0  0
 15 39  1  0  0  0  0
 10 39  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0305815

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(N=C(O)\C(C)=C/C=C[C@@H](OC)[C@H](OC(O)=N)\C(C)=C/[C@@H](C)[C@@H]1O)C2=O

> <INCHI_IDENTIFIER>
InChI=1S/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,15-9-,17-11-/t16-,18+,22-,23-,24+,26-,27-/m1/s1

> <INCHI_KEY>
DWFFHRSGCPBMKD-RMHMXCCCSA-N

> <FORMULA>
C29H40N2O9

> <MOLECULAR_WEIGHT>
560.644

> <EXACT_MASS>
560.273380876

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
80

> <JCHEM_AVERAGE_POLARIZABILITY>
58.160319774673816

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(4Z,6E,8R,9R,10Z,12R,13S,14R,16S,17R)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid

> <JCHEM_LOGP>
0.9997058403879109

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
5.743998607344695

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.8860278755542126

> <JCHEM_PKA_STRONGEST_BASIC>
11.585920484983998

> <JCHEM_POLAR_SURFACE_AREA>
167.95999999999998

> <JCHEM_REFRACTIVITY>
163.8776

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
{[(4Z,6E,8R,9R,10Z,12R,13S,14R,16S,17R)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0       8.109  10.702   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.165   9.485   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       7.747   8.059   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.731   6.897   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.865   5.605   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.514   6.345   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.243   4.177   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.236   5.342   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       3.790   6.816   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.718   3.763   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.419   4.634   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.019   3.976   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -0.250   4.848   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       0.904   2.421   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.166   1.483   0.000  0.00  0.00           C+0
HETATM   16  N   UNK     0       2.579  -0.062   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0       3.653  -1.206   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       2.797  -2.487   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.125  -1.763   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.042  -3.301   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.631  -1.372   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       7.674  -0.214   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.773   0.885   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.787   2.086   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      10.830   0.953   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      10.370  -0.517   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.072   3.001   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      12.177   1.928   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      13.659   2.348   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0      14.036   3.841   0.000  0.00  0.00           N+0
HETATM   31  O   UNK     0      14.763   1.275   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      11.940   4.297   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.454   4.016   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      11.593   5.820   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.507   6.931   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      11.551   8.063   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       9.293   7.939   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       9.872   9.366   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       3.549   2.208   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       4.821   1.341   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8   10                                                  
CONECT    8    7    9                                                       
CONECT    9    8                                                            
CONECT   10    7   11   39                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   39                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   27                                                  
CONECT   25   24   26                                                       
CONECT   26   25                                                            
CONECT   27   24   28   32                                                  
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29                                                            
CONECT   32   27   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35    3   38                                                  
CONECT   38   37                                                            
CONECT   39   15   10   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₉H₄₀N₂O₉

Average Mass

560.6440 Da

Monoisotopic Mass

560.27338 Da

IUPAC Name

{[(4Z,6E,8R,9R,10Z,12R,13S,14R,16S,17R)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid

Traditional Name

{[(4Z,6E,8R,9R,10Z,12R,13S,14R,16S,17R)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid

CAS Registry Number

Not Available

SMILES

CO[C@@H]1C[C@H](C)[C@@H](OC)C2=CC(=O)C=C(N=C(O)\C(C)=C/C=C[C@@H](OC)[C@H](OC(O)=N)\C(C)=C/[C@@H](C)[C@@H]1O)C2=O

InChI Identifier

InChI=1S/C29H40N2O9/c1-15-9-8-10-22(37-5)27(40-29(30)36)17(3)11-16(2)24(33)23(38-6)12-18(4)26(39-7)20-13-19(32)14-21(25(20)34)31-28(15)35/h8-11,13-14,16,18,22-24,26-27,33H,12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8+,15-9-,17-11-/t16-,18+,22-,23-,24+,26-,27-/m1/s1

InChI Key

DWFFHRSGCPBMKD-RMHMXCCCSA-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
Streptomyces hygroscopicus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group), where the carboximidic acid group is part of a cycle.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboximidic acids and derivatives

Sub Class

Carboximidic acids

Direct Parent

Cyclic carboximidic acids

Alternative Parents

Substituents

Cyclic carboximidic acid
Cyclic ketone
Secondary alcohol
Ketone
Azacycle
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Ether
Dialkyl ether
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Imine
Carbonyl group
Alcohol
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

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	1	ChemAxon
pKa (Strongest Acidic)	-2.9	ChemAxon
pKa (Strongest Basic)	11.59	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	167.96 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	163.88 m³·mol⁻¹	ChemAxon
Polarizability	58.16 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

C00017820

Chemspider ID

78443003

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139588999

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lin LZ, Blasko G, Cordell GA: 1H-nmr analysis of herbimycins and dihydro-herbimycins. J Nat Prod. 1988 Nov-Dec;51(6):1161-5. doi: 10.1021/np50060a018. [PubMed:3236008 ]
Shibata K, Satsumabayashi S, Nakagawa A, Omura S: The structure and cytocidal activity of herbimycin C. J Antibiot (Tokyo). 1986 Nov;39(11):1630-3. doi: 10.7164/antibiotics.39.1630. [PubMed:3793634 ]
LOTUS database [Link]

Showing NP-Card for {[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid (NP0305815)

MOL for NP0305815 ({[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid)

3D MOL for NP0305815 ({[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid)

3D SDF for NP0305815 ({[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid)

3D-SDF for NP0305815 ({[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid)

PDB for NP0305815 ({[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid)

3D PDB for NP0305815 ({[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid)

SMILES for NP0305815 ({[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid)

INCHI for NP0305815 ({[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid)

Structure for NP0305815 ({[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid)

3D Structure for NP0305815 ({[(4z,6e,8r,9r,10z,12r,13s,14r,16s,17r)-3,13-dihydroxy-8,14,17-trimethoxy-4,10,12,16-tetramethyl-20,22-dioxo-2-azabicyclo[16.3.1]docosa-1(21),2,4,6,10,18-hexaen-9-yl]oxy}methanimidic acid)