NP-MRD: Showing NP-Card for (2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid (NP0168360)

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Record Information

Version

2.0

Created at

2022-09-03 04:08:52 UTC

Updated at

2022-09-03 04:08:52 UTC

NP-MRD ID

NP0168360

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid

Description

Rhizocticin A, also known as arg-appa, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Rhizocticin A is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. (2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid was first documented in 2013 (PMID: 23891162). Based on a literature review a small amount of articles have been published on Rhizocticin A (PMID: 35909597) (PMID: 34298216).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 44  0  0  0  0  0  0  0  0999 V2000
    6.3828   -0.4830   -2.3680 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2506   -1.1876   -1.6294 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4081   -1.0814   -0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2974   -2.1040    0.3000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803    0.0613   -0.5765 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2715    0.5693    0.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3911    1.7739    0.6835 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0742    1.5678    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861    0.5486    0.6565 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7725   -0.7793    0.6871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0597    0.4431   -0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0495    0.0287   -1.4644 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2025    0.7374    0.3712 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4456    0.6465   -0.3819 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5389    0.7894    0.6030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7192    0.2284    0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0646   -0.5661   -0.7884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5457   -2.2720   -0.3193 P   0  0  0  0  0  5  0  0  0  0  0  0
   -5.9262   -3.0046   -1.5983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8957   -2.2367    0.6836 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2063   -2.9770    0.4215 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4729    1.7092   -1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442    1.8603   -2.2071 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4080    2.5720   -1.5262 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7311   -2.9665    0.1668 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8291   -1.9589    1.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855    0.5509   -1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2630    0.9284    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9481   -0.2094    1.4398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3017    2.2199    1.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9379    2.5470    0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316    2.5330    0.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2509    1.3029   -1.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731    0.8100    1.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8126   -1.2139   -0.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575   -1.3495    1.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8402   -0.1154   -1.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4495   -0.3798   -0.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4031    1.3544    1.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4894    0.3654    1.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3073   -0.6603   -1.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9923   -0.0985   -1.2318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1587   -1.3074    0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3540   -2.5081    0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2438    3.3114   -0.8486 H   0  0  0  0  0  0  0  0  0  0  0  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  1  0
  3  2  2  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 20  1  0
 18 21  1  0
 18 19  2  0
 14 22  1  0
 22 24  1  0
 22 23  2  0
 10 35  1  0
 10 36  1  0
  9 34  1  1
  8 32  1  0
  8 33  1  0
  7 30  1  0
  7 31  1  0
  6 28  1  0
  6 29  1  0
  5 27  1  0
  4 25  1  0
  4 26  1  0
  2  1  1  0
 12 37  1  0
 14 38  1  6
 15 39  1  0
 16 40  1  0
 17 41  1  0
 17 42  1  0
 20 43  1  0
 21 44  1  0
 24 45  1  0
M  END


  Mrv1652309032206082D          

 23 22  0  0  1  0            999 V2000
    1.0461    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    2.6664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7618    1.4289    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4763    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4763    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1908    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9052    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    3.0789    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.3342    3.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0322    2.3645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2072    3.7934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1908    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9052    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1908    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  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  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  4  0  0  0
 10 12  2  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0168360

> <DATABASE_NAME>
NP-MRD

> <SMILES>
N[C@@H](CCCNC(N)=N)C(O)=N[C@@H](\C=C/CP(O)(O)=O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C11H22N5O6P/c12-7(3-1-5-15-11(13)14)9(17)16-8(10(18)19)4-2-6-23(20,21)22/h2,4,7-8H,1,3,5-6,12H2,(H,16,17)(H,18,19)(H4,13,14,15)(H2,20,21,22)/b4-2-/t7-,8-/m0/s1

> <INCHI_KEY>
BLNRPHBKOMCMBX-ABXVWLFBSA-N

> <FORMULA>
C11H22N5O6P

> <MOLECULAR_WEIGHT>
351.3

> <EXACT_MASS>
351.130770446

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
32.87738516312115

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3Z)-2-{[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid

> <ALOGPS_LOGP>
-2.68

> <JCHEM_LOGP>
-6.407208941971385

> <ALOGPS_LOGS>
-3.07

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
3.270708087539843

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.7312010708086736

> <JCHEM_PKA_STRONGEST_BASIC>
12.075409265190563

> <JCHEM_POLAR_SURFACE_AREA>
215.33999999999997

> <JCHEM_REFRACTIVITY>
92.64499999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.98e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3Z)-2-{[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  N   UNK     0       1.953   2.667   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       3.286   4.977   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0       4.620   2.667   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       9.955   1.127   0.000  0.00  0.00           N+0
HETATM   10  C   UNK     0      11.288   3.437   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      11.288   4.977   0.000  0.00  0.00           O+0
HETATM   12  N   UNK     0      12.622   2.667   0.000  0.00  0.00           N+0
HETATM   13  C   UNK     0      13.956   3.437   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      13.956   4.977   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.289   5.747   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.623   4.977   0.000  0.00  0.00           C+0
HETATM   17  P   UNK     0      17.957   5.747   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      19.290   6.517   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      18.727   4.414   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      17.187   7.081   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      15.289   2.667   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      16.623   3.437   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      15.289   1.127   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   21                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17                                                            
CONECT   21   13   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Value	Source
Arg-appa	MeSH
Arginyl-2-amino-5-phosphono-3-pentenoic acid	MeSH

Chemical Formula

C₁₁H₂₂N₅O₆P

Average Mass

351.3000 Da

Monoisotopic Mass

351.13077 Da

IUPAC Name

(2S,3Z)-2-{[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid

Traditional Name

(2S,3Z)-2-{[(2S)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid

CAS Registry Number

Not Available

SMILES

N[C@@H](CCCNC(N)=N)C(O)=N[C@@H](\C=C/CP(O)(O)=O)C(O)=O

InChI Identifier

InChI=1S/C11H22N5O6P/c12-7(3-1-5-15-11(13)14)9(17)16-8(10(18)19)4-2-6-23(20,21)22/h2,4,7-8H,1,3,5-6,12H2,(H,16,17)(H,18,19)(H4,13,14,15)(H2,20,21,22)/b4-2-/t7-,8-/m0/s1

InChI Key

BLNRPHBKOMCMBX-ABXVWLFBSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
N-acyl-l-alpha-amino acid
Alpha-amino acid amide
Alpha-amino acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Unsaturated fatty acid
Organophosphonic acid
Organophosphonic acid derivative
Amino acid or derivatives
Carboxamide group
Guanidine
Amino acid
Secondary carboxylic acid amide
Carboximidamide
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Carboxylic acid
Monocarboxylic acid or derivatives
Organonitrogen compound
Organic oxide
Amine
Primary aliphatic amine
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organic nitrogen compound
Carbonyl group
Organooxygen compound
Organophosphorus compound
Primary amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

peptide (CHEBI:81400 )

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	-2.7	ALOGPS
logP	-6.4	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	1.73	ChemAxon
pKa (Strongest Basic)	12.08	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	215.34 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	92.64 m³·mol⁻¹	ChemAxon
Polarizability	32.88 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

20145035

KEGG Compound ID

C17944

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14061801

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Felix-Pablos CM, Parra-Cota FI, Santoyo G, Orozco-Mosqueda MDC, de Los Santos-Villalobos S: Draft genome sequence of Bacillus sp. strain FSQ1, a biological control agent against white mold in common bean (Phaseolus vulgaris L.). Curr Res Microb Sci. 2022 May 13;3:100138. doi: 10.1016/j.crmicr.2022.100138. eCollection 2022. [PubMed:35909597 ]
Villa-Rodriguez E, Moreno-Ulloa A, Castro-Longoria E, Parra-Cota FI, de Los Santos-Villalobos S: Integrated omics approaches for deciphering antifungal metabolites produced by a novel Bacillus species, B. cabrialesii TE3(T), against the spot blotch disease of wheat (Triticum turgidum L. subsp. durum). Microbiol Res. 2021 Oct;251:126826. doi: 10.1016/j.micres.2021.126826. Epub 2021 Jul 14. [PubMed:34298216 ]
Gahungu M, Arguelles-Arias A, Fickers P, Zervosen A, Joris B, Damblon C, Luxen A: Synthesis and biological evaluation of potential threonine synthase inhibitors: Rhizocticin A and Plumbemycin A. Bioorg Med Chem. 2013 Sep 1;21(17):4958-67. doi: 10.1016/j.bmc.2013.06.064. Epub 2013 Jul 8. [PubMed:23891162 ]
LOTUS database [Link]

Showing NP-Card for (2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid (NP0168360)

MOL for NP0168360 ((2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid)

3D MOL for NP0168360 ((2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid)

3D SDF for NP0168360 ((2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid)

3D-SDF for NP0168360 ((2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid)

PDB for NP0168360 ((2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid)

3D PDB for NP0168360 ((2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid)

SMILES for NP0168360 ((2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid)

INCHI for NP0168360 ((2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid)

Structure for NP0168360 ((2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid)

3D Structure for NP0168360 ((2s,3z)-2-{[(2s)-2-amino-5-carbamimidamido-1-hydroxypentylidene]amino}-5-phosphonopent-3-enoic acid)