NP-MRD: Showing NP-Card for Spumigin B 2 (NP0072355)

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Record Information

Version

2.0

Created at

2022-04-28 17:42:36 UTC

Updated at

2022-04-28 17:42:36 UTC

NP-MRD ID

NP0072355

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Spumigin B 2

Description

Spumigin B2 belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Spumigin B 2 is found in Nodularia spumigena AV1. Based on a literature review very few articles have been published on Spumigin B2.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282219422D          

 45 47  0  0  1  0            999 V2000
    2.9280   -6.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5411   -6.8045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5475   -4.8324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7670   -4.2895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8532   -5.1100    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652304282219422D          

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    8.1401   -5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8545   -5.5225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5690   -5.1100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2835   -5.5225    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5690   -4.2850    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6245   -3.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -6.5074    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9719   -7.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5850   -7.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135   -8.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0265   -9.2254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8550  -10.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0704  -10.2874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4573   -9.7353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6288   -8.9284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989  -11.0943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5303   -5.9554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7457   -6.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5742   -7.0173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1326   -5.6583    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3041   -4.8513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6520   -5.9132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2651   -5.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0497   -5.6162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6628   -5.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4913   -4.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7067   -4.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0936   -4.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1044   -3.7051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  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
  3  7  1  0  0  0  0
  7  8  1  1  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 11 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 11 15  1  0  0  0  0
 15 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  2  0  0  0  0
 19 21  1  0  0  0  0
  5 22  1  1  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 29 32  1  0  0  0  0
 23 33  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  1  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  2  0  0  0  0
 39 44  1  0  0  0  0
 42 45  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0072355

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC1=CC=C(O)C=C1)NC(=O)[C@H](O)CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C31H42N6O8/c1-18-15-25(27(41)36-24(30(44)45)3-2-14-34-31(32)33)37(17-18)29(43)23(13-8-19-4-9-21(38)10-5-19)35-28(42)26(40)16-20-6-11-22(39)12-7-20/h4-7,9-12,18,23-26,38-40H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,41)(H,44,45)(H4,32,33,34)/t18-,23+,24+,25-,26+/m0/s1

> <INCHI_KEY>
MNCDUGJJFHDUNT-XAQLEQOKSA-N

> <FORMULA>
C31H42N6O8

> <MOLECULAR_WEIGHT>
626.711

> <EXACT_MASS>
626.306412336

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
87

> <JCHEM_AVERAGE_POLARIZABILITY>
66.31361083035264

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-5-carbamimidamido-2-{[(2S,4S)-1-[(2R)-2-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidin-2-yl]formamido}pentanoic acid

> <ALOGPS_LOGP>
0.44

> <JCHEM_LOGP>
-0.850195725665092

> <ALOGPS_LOGS>
-4.06

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.202136040731647

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.491967388766161

> <JCHEM_PKA_STRONGEST_BASIC>
11.888856753366301

> <JCHEM_POLAR_SURFACE_AREA>
238.39999999999998

> <JCHEM_REFRACTIVITY>
174.1193

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.49e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-5-carbamimidamido-2-{[(2S,4S)-1-[(2R)-2-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidin-2-yl]formamido}pentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0       5.466 -11.671   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       6.610 -12.702   0.000  0.00  0.00           O+0
HETATM    3  N   UNK     0       5.786 -10.165   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       4.755  -9.021   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.525  -7.687   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.032  -8.007   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.193  -9.539   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.526 -10.309   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.526 -11.849   0.000  0.00  0.00           O+0
HETATM   10  N   UNK     0       9.860  -9.539   0.000  0.00  0.00           N+0
HETATM   11  C   UNK     0      11.194 -10.309   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      11.194 -11.849   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      12.527 -12.619   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       9.860 -12.619   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      12.527  -9.539   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.861 -10.309   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      15.195  -9.539   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      16.528 -10.309   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      17.862  -9.539   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      19.196 -10.309   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0      17.862  -7.999   0.000  0.00  0.00           N+0
HETATM   22  C   UNK     0       4.899  -6.280   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       4.001 -12.147   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.681 -13.654   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.825 -14.684   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.505 -16.190   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       5.650 -17.221   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       5.329 -18.727   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       3.865 -19.203   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       2.720 -18.173   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       3.040 -16.666   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       3.545 -20.709   0.000  0.00  0.00           O+0
HETATM   33  N   UNK     0       2.857 -11.117   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0       1.392 -11.593   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       1.072 -13.099   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       0.248 -10.562   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       0.568  -9.056   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      -1.217 -11.038   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -2.362 -10.008   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -3.826 -10.483   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -4.971  -9.453   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -4.650  -7.947   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -3.186  -7.471   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -2.041  -8.501   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -5.795  -6.916   0.000  0.00  0.00           O+0
CONECT    1    2    3   23                                                  
CONECT    2    1                                                            
CONECT    3    1    4    7                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   22                                                  
CONECT    6    5    7                                                       
CONECT    7    6    3    8                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   15                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15   11   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22    5                                                            
CONECT   23    1   24   33                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30   32                                                  
CONECT   30   29   31                                                       
CONECT   31   30   26                                                       
CONECT   32   29                                                            
CONECT   33   23   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39                                                       
CONECT   39   38   40   44                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   45                                                  
CONECT   43   42   44                                                       
CONECT   44   43   39                                                       
CONECT   45   42                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₄₂N₆O₈

Average Mass

626.7110 Da

Monoisotopic Mass

626.30641 Da

IUPAC Name

(2R)-5-carbamimidamido-2-{[(2S,4S)-1-[(2R)-2-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidin-2-yl]formamido}pentanoic acid

Traditional Name

(2R)-5-carbamimidamido-2-{[(2S,4S)-1-[(2R)-2-[(2R)-2-hydroxy-3-(4-hydroxyphenyl)propanamido]-4-(4-hydroxyphenyl)butanoyl]-4-methylpyrrolidin-2-yl]formamido}pentanoic acid

CAS Registry Number

Not Available

SMILES

C[C@H]1C[C@H](N(C1)C(=O)[C@@H](CCC1=CC=C(O)C=C1)NC(=O)[C@H](O)CC1=CC=C(O)C=C1)C(=O)N[C@H](CCCNC(N)=N)C(O)=O

InChI Identifier

InChI=1S/C31H42N6O8/c1-18-15-25(27(41)36-24(30(44)45)3-2-14-34-31(32)33)37(17-18)29(43)23(13-8-19-4-9-21(38)10-5-19)35-28(42)26(40)16-20-6-11-22(39)12-7-20/h4-7,9-12,18,23-26,38-40H,2-3,8,13-17H2,1H3,(H,35,42)(H,36,41)(H,44,45)(H4,32,33,34)/t18-,23+,24+,25-,26+/m0/s1

InChI Key

MNCDUGJJFHDUNT-XAQLEQOKSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Nodularia spumigena AV1	Bacteria	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Oligopeptides

Alternative Parents

Substituents

Alpha-oligopeptide
Arginine or derivatives
Proline or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Alpha-amino acid amide
Alpha-amino acid or derivatives
Pyrrolidine-2-carboxamide
Pyrrolidine carboxylic acid or derivatives
N-acylpyrrolidine
1-hydroxy-2-unsubstituted benzenoid
Phenol
Benzenoid
Monocyclic benzene moiety
Fatty amide
Fatty acyl
Pyrrolidine
Tertiary carboxylic acid amide
Carboxamide group
Guanidine
Secondary carboxylic acid amide
Secondary alcohol
Organoheterocyclic compound
Azacycle
Monocarboxylic acid or derivatives
Carboxylic acid
Carboximidamide
Organonitrogen compound
Hydrocarbon derivative
Imine
Organic nitrogen compound
Organic oxide
Alcohol
Carbonyl group
Organopnictogen compound
Organooxygen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic 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	0.44	ALOGPS
logP	-0.85	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	3.49	ChemAxon
pKa (Strongest Basic)	11.89	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	238.4 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	174.12 m³·mol⁻¹	ChemAxon
Polarizability	66.31 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00032194

Chemspider ID

64868959

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

15342342

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Spumigin B 2 (NP0072355)

MOL for NP0072355 (Spumigin B 2)

3D MOL for NP0072355 (Spumigin B 2)

3D SDF for NP0072355 (Spumigin B 2)

3D-SDF for NP0072355 (Spumigin B 2)

PDB for NP0072355 (Spumigin B 2)

3D PDB for NP0072355 (Spumigin B 2)

SMILES for NP0072355 (Spumigin B 2)

INCHI for NP0072355 (Spumigin B 2)

Structure for NP0072355 (Spumigin B 2)

3D Structure for NP0072355 (Spumigin B 2)