NP-MRD: Showing NP-Card for Degraded amphibactin F (NP0341873)

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Record Information

Version

2.0

Created at

2024-10-13 15:45:18 UTC

Updated at

2025-01-24 23:35:24 UTC

NP-MRD ID

NP0341873

Natural Product DOI

https://doi.org/10.57994/3361

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Degraded amphibactin F

Description

Based on a literature review very few articles have been published on Degraded amphibactin F.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01102315572D          

 43 42  0  0  0  0            999 V2000
   14.1355    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5645    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9934    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7079    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1368    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8513    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5658    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2802    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9947    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7092    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    7.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    8.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815    7.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    7.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    6.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    6.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    6.5112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    5.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    4.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    4.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105    8.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8539    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5684    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828    8.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828    9.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973    7.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249    9.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394   10.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105   10.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960    9.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    7.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 30 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 28 42  2  0  0  0  0
 17 43  2  0  0  0  0
M  END


  Mrv2104 01102315572D          

 43 42  0  0  0  0            999 V2000
   14.1355    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8500    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5645    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2789    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9934    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7079    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4224    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1368    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8513    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5658    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2802    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9947    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7092    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    7.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    8.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2815    7.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    7.3362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    6.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    6.0987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    6.5112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    5.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5671    4.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1381    4.8612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105    8.5737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8539    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5684    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828    8.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.2828    9.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973    8.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7118    8.9862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9973    7.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.4249    9.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1394   10.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.7105   10.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.9960    9.8112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8526    7.7487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 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
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 19 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  2  0  0  0  0
 30 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 28 42  2  0  0  0  0
 17 43  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0341873

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCC(O)CC(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CCCN(O)C(C)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1/C30H56N4O9/c1-4-5-6-7-8-9-10-11-12-13-14-17-25(37)22-28(38)31-26(18-15-20-33(42)23(2)35)29(39)32-27(30(40)41)19-16-21-34(43)24(3)36/h25-27,37,42-43H,4-22H2,1-3H3,(H,31,38)(H,32,39)(H,40,41)

> <INCHI_KEY>
HOABFOFJYTVGRL-UHFFFAOYNA-N

> <FORMULA>
C30H56N4O9

> <MOLECULAR_WEIGHT>
616.797

> <EXACT_MASS>
616.404729399

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
99

> <JCHEM_AVERAGE_POLARIZABILITY>
69.98436549870794

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-(N-hydroxyacetamido)-2-[5-(N-hydroxyacetamido)-2-(3-hydroxyhexadecanamido)pentanamido]pentanoic acid

> <JCHEM_LOGP>
2.431124760666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
8.111043044661601

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.5888283597492134

> <JCHEM_PKA_STRONGEST_BASIC>
-1.8676515845588668

> <JCHEM_POLAR_SURFACE_AREA>
196.80999999999997

> <JCHEM_REFRACTIVITY>
161.03310000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
26

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
5-(N-hydroxyacetamido)-2-[5-(N-hydroxyacetamido)-2-(3-hydroxyhexadecanamido)pentanamido]pentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-JAN-23         0                                  
HETATM    1  C   UNK     0      26.386  16.774   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      27.720  16.004   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      29.054  16.774   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      30.387  16.004   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      31.721  16.774   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      33.055  16.004   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      34.388  16.774   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      35.722  16.004   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      37.056  16.774   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      38.389  16.004   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      39.723  16.774   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      41.057  16.004   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      42.390  16.774   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      43.724  16.004   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      43.724  14.464   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0      45.058  16.774   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      46.392  16.004   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      47.725  16.774   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      49.059  16.004   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      49.059  14.464   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      47.725  13.694   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      47.725  12.154   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0      46.392  11.384   0.000  0.00  0.00           N+0
HETATM   24  O   UNK     0      45.058  12.154   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      46.392   9.844   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      47.725   9.074   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      45.058   9.074   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      50.393  16.774   0.000  0.00  0.00           C+0
HETATM   29  N   UNK     0      51.726  16.004   0.000  0.00  0.00           N+0
HETATM   30  C   UNK     0      53.060  16.774   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      54.394  16.004   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      55.727  16.774   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      57.061  16.004   0.000  0.00  0.00           C+0
HETATM   34  N   UNK     0      58.395  16.774   0.000  0.00  0.00           N+0
HETATM   35  O   UNK     0      58.395  18.314   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      59.728  16.004   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      61.062  16.774   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      59.728  14.464   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      53.060  18.314   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      54.394  19.084   0.000  0.00  0.00           O+0
HETATM   41  O   UNK     0      51.726  19.084   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      50.393  18.314   0.000  0.00  0.00           O+0
HETATM   43  O   UNK     0      46.392  14.464   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   43                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   28                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25                                                            
CONECT   28   19   29   42                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   39                                                  
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36                                                            
CONECT   39   30   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39                                                            
CONECT   42   28                                                            
CONECT   43   17                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   84    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₀H₅₆N₄O₉

Average Mass

616.7970 Da

Monoisotopic Mass

616.40473 Da

IUPAC Name

5-(N-hydroxyacetamido)-2-[5-(N-hydroxyacetamido)-2-(3-hydroxyhexadecanamido)pentanamido]pentanoic acid

Traditional Name

5-(N-hydroxyacetamido)-2-[5-(N-hydroxyacetamido)-2-(3-hydroxyhexadecanamido)pentanamido]pentanoic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCC(O)CC(=O)NC(CCCN(O)C(C)=O)C(=O)NC(CCCN(O)C(C)=O)C(O)=O

InChI Identifier

InChI=1/C30H56N4O9/c1-4-5-6-7-8-9-10-11-12-13-14-17-25(37)22-28(38)31-26(18-15-20-33(42)23(2)35)29(39)32-27(30(40)41)19-16-21-34(43)24(3)36/h25-27,37,42-43H,4-22H2,1-3H3,(H,31,38)(H,32,39)(H,40,41)

InChI Key

HOABFOFJYTVGRL-UHFFFAOYNA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
DEPT135 NMR	¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)	mlor3@gatech.edu	Georgia Institute of Technology	Monica Monge	2024-10-13	View Spectrum
ROESY NMR	[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)	mlor3@gatech.edu	Georgia Institute of Technology	Monica Monge	2024-10-13	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)	mlor3@gatech.edu	Georgia Institute of Technology	Monica Monge	2024-10-13	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)	mlor3@gatech.edu	Georgia Institute of Technology	Monica Monge	2024-10-13	View Spectrum
TOCSY NMR	[¹H, ¹H] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)	mlor3@gatech.edu	Georgia Institute of Technology	Monica Monge	2024-10-13	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, C2D6OS, experimental)	mlor3@gatech.edu	Georgia Institute of Technology	Monica Monge	2024-10-13	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)	mlor3@gatech.edu	Georgia Institute of Technology	Monica Monge	2024-10-13	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 700 MHz, C2D6OS, experimental)	mlor3@gatech.edu	Georgia Institute of Technology	Monica Monge	2024-10-13	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)	mlor3@gatech.edu	Georgia Institute of Technology	Monica Monge	2024-10-13	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, C2D6OS, experimental)	mlor3@gatech.edu	Georgia Institute of Technology	Monica Monge	2024-10-13	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Vibrio coralliilyticus		Not Available

Chemical Taxonomy

Classification

Not classified

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	2.43	ChemAxon
pKa (Strongest Acidic)	3.59	ChemAxon
pKa (Strongest Basic)	-1.9	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	196.81 Å²	ChemAxon
Rotatable Bond Count	26	ChemAxon
Refractivity	161.03 m³·mol⁻¹	ChemAxon
Polarizability	69.98 Å³	ChemAxon
Number of Rings	0	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

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Degraded amphibactin F (NP0341873)

MOL for NP0341873 (Degraded amphibactin F)

3D MOL for NP0341873 (Degraded amphibactin F)

3D SDF for NP0341873 (Degraded amphibactin F)

3D-SDF for NP0341873 (Degraded amphibactin F)

PDB for NP0341873 (Degraded amphibactin F)

3D PDB for NP0341873 (Degraded amphibactin F)

SMILES for NP0341873 (Degraded amphibactin F)

INCHI for NP0341873 (Degraded amphibactin F)

Structure for NP0341873 (Degraded amphibactin F)

3D Structure for NP0341873 (Degraded amphibactin F)