NP-MRD: Showing NP-Card for Borrelidin B (NP0333206)

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Record Information

Version

2.0

Created at

2024-05-12 13:54:15 UTC

Updated at

2025-07-29 21:24:31 UTC

NP-MRD ID

NP0333206

Natural Product DOI

https://doi.org/10.57994/2531

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Borrelidin B

Description

(1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid 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. Borrelidin B was first documented in 2014 (PMID: 25393949). Based on a literature review very few articles have been published on (1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652310182203122D          

 35 36  0  0  1  0            999 V2000
    5.6091    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    3.6509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8946    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    4.8884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3235    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    3.6509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0380    3.2384    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0380    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -0.4741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6091   -0.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    2.0009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1801    2.4134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1801    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    2.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -1.2991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9910   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7360   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6561   -1.7840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8715   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2584   -2.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6999   -0.7221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    2.4134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    3.6509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    5.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  2  0  0  0  0
  9 10  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 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
  2 20  1  0  0  0  0
 19 21  1  1  0  0  0
 18 22  1  1  0  0  0
 13 23  1  1  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  8 31  1  0  0  0  0
 31 32  1  0  0  0  0
  7 33  1  1  0  0  0
  6 34  1  1  0  0  0
  4 35  1  1  0  0  0
M  END


  Mrv1652310182203122D          

 35 36  0  0  1  0            999 V2000
    5.6091    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    3.6509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8946    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    4.8884    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3235    4.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    3.6509    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0380    3.2384    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0380    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0380   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -0.4741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6091   -0.0616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    2.0009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1801    2.4134    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1801    3.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    2.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -1.2991    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9910   -1.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7360   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110   -2.5687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6561   -1.7840    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8715   -1.5291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2584   -2.0811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6999   -0.7221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    2.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4669    2.4134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7525    3.6509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    2.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    5.7134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  2  0  0  0  0
  9 10  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  4  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 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
  2 20  1  0  0  0  0
 19 21  1  1  0  0  0
 18 22  1  1  0  0  0
 13 23  1  1  0  0  0
 23 24  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
  8 31  1  0  0  0  0
 31 32  1  0  0  0  0
  7 33  1  1  0  0  0
  6 34  1  1  0  0  0
  4 35  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0333206

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)C(CN)=CC=CC[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C28H47NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-16,29H2,1-4H3,(H,33,34)/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1

> <INCHI_KEY>
HSRFFKHGZLNWNZ-HBJZAWFCSA-N

> <FORMULA>
C28H47NO6

> <MOLECULAR_WEIGHT>
493.685

> <EXACT_MASS>
493.340338237

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
55.98422048613922

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

> <ALOGPS_LOGP>
0.68

> <JCHEM_LOGP>
1.5906195309970517

> <ALOGPS_LOGS>
-4.46

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.165038895376775

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.831100999454297

> <JCHEM_PKA_STRONGEST_BASIC>
9.261551189816892

> <JCHEM_POLAR_SURFACE_AREA>
130.07999999999998

> <JCHEM_REFRACTIVITY>
138.19400000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.71e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 18-OCT-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-OCT-22         0                                  
HETATM    1  C   UNK     0      10.470   6.045   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.137   6.815   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.137   8.355   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.470   9.125   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      11.804   8.355   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      11.804   6.815   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.138   6.045   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      13.138   4.505   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      14.471   3.735   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      14.471   2.195   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.138   1.425   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      13.138  -0.115   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.804  -0.885   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      10.470  -0.115   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      10.470   1.425   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      11.804   2.195   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0       9.137   2.195   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.137   3.735   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.803   4.505   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.803   6.045   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       6.469   3.735   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      10.470   4.505   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      11.804  -2.425   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      13.050  -3.330   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      12.574  -4.795   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.034  -4.795   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.558  -3.330   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       9.093  -2.854   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       7.949  -3.885   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       8.773  -1.348   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      14.471   5.275   0.000  0.00  0.00           C+0
HETATM   32  N   UNK     0      15.805   4.505   0.000  0.00  0.00           N+0
HETATM   33  O   UNK     0      14.471   6.815   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      11.178   5.408   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      10.470  10.665   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   20                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   35                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   34                                                  
CONECT    7    6    8   33                                                  
CONECT    8    7    9   31                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   23                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   22                                                  
CONECT   19   18   20   21                                                  
CONECT   20   19    2                                                       
CONECT   21   19                                                            
CONECT   22   18                                                            
CONECT   23   13   24   27                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   23   28                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31    8   32                                                       
CONECT   32   31                                                            
CONECT   33    7                                                            
CONECT   34    6                                                            
CONECT   35    4                                                            
MASTER        0    0    0    0    0    0    0    0   35    0   72    0
END

View in JSmol

Synonyms

Value	Source
(1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-(Aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylate	Generator

Chemical Formula

C₂₈H₄₇NO₆

Average Mass

493.6850 Da

Monoisotopic Mass

493.34034 Da

IUPAC Name

(1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

Traditional Name

(1R,2R)-2-[(2S,8R,9S,11R,13S,15S,16S)-7-(aminomethyl)-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid

CAS Registry Number

Not Available

SMILES

C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)C(CN)=CC=CC[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O

InChI Identifier

InChI=1S/C28H47NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-16,29H2,1-4H3,(H,33,34)/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1

InChI Key

HSRFFKHGZLNWNZ-HBJZAWFCSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, C5D5N, experimental)	[email protected]	Not Available	Not Available	2024-05-12	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, C5D5N, experimental)	[email protected]	Not Available	Not Available	2024-05-12	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	[email protected]	Not Available	Not Available	2024-05-12	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	[email protected]	Not Available	Not Available	2024-05-12	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, C5D5N, experimental)	[email protected]	Not Available	Not Available	2024-05-12	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCL3, experimental)	[email protected]	Not Available	Not Available	2024-05-12	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces sp. RL09-241-NTF-B		Not Available

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
Dicarboxylic acid or derivatives
Amino acid
Secondary alcohol
Lactone
Carboxylic acid ester
Amino acid or derivatives
Oxacycle
Organoheterocyclic compound
Carboxylic acid
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Primary amine
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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	0.68	ALOGPS
logP	1.59	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	3.83	ChemAxon
pKa (Strongest Basic)	9.26	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	130.08 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	138.19 m³·mol⁻¹	ChemAxon
Polarizability	55.98 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

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

DOI: 10.1021/np500727g

Showing NP-Card for Borrelidin B (NP0333206)

MOL for NP0333206 ( Borrelidin B )

3D MOL for NP0333206 ( Borrelidin B )

3D SDF for NP0333206 ( Borrelidin B )

3D-SDF for NP0333206 ( Borrelidin B )

PDB for NP0333206 ( Borrelidin B )

3D PDB for NP0333206 ( Borrelidin B )

SMILES for NP0333206 ( Borrelidin B )

INCHI for NP0333206 ( Borrelidin B )

Structure for NP0333206 ( Borrelidin B )

3D Structure for NP0333206 ( Borrelidin B )