NP-MRD: Showing NP-Card for (2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid (NP0191691)

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Record Information

Version

2.0

Created at

2022-09-04 08:43:46 UTC

Updated at

2022-09-04 08:43:46 UTC

NP-MRD ID

NP0191691

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid

Description

N-myristoyl-d-asn belongs to the class of organic compounds known as asparagine and derivatives. Asparagine and derivatives are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. (2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid was first documented in 2022 (PMID: 36067266). Based on a literature review very few articles have been published on N-myristoyl-d-asn.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 58 57  0  0  0  0  0  0  0  0999 V2000
   -7.9731   -1.1334   -1.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2113   -1.1296   -0.6124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6465   -0.2421    0.1544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0151   -0.2946    1.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6888    0.7313   -0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2812    0.5697    0.1132 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.5027    1.6164   -0.5632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2438    1.6383   -0.5645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5446    2.6342   -1.2085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212    0.5806    0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5468   -0.1196   -0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7452   -1.2016   -0.1854 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1284   -0.6555    0.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9971   -1.6527    1.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9348   -2.4600    0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0456   -1.9430    0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8380   -1.0862   -1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0703   -0.6659   -1.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0689    0.2124   -1.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7863   -0.0900   -0.0246 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8714    0.9969    0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2424    2.3458    0.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1469    0.8084    1.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6234    0.0086    2.3892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4797    1.9417    2.0338 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9906   -0.4379    1.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0341    1.7845   -0.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6462    0.5912   -1.5132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9153   -0.4479   -0.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8717    3.0368   -2.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0923   -0.1410    0.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7582    1.1118    0.8763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8704    0.6502   -1.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1642   -0.5225   -1.6965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2102   -1.7221   -1.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181   -1.9857    0.2735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6169   -0.2297    1.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6705    0.2430    0.5708 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2555   -2.3655    2.0606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4307   -1.1561    2.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3155   -3.1544    0.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3608   -3.2422    1.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073   -1.5240    0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256   -2.8636   -0.3883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2315   -1.6636   -1.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2666   -0.1476   -0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5962   -1.5721   -2.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6732   -0.1562   -2.8147 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8678    0.4472   -2.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5804    1.2480   -1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3047   -1.0452    0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1042    0.1265    0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6356    0.9112   -0.5168 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3080    0.6903    1.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9369    2.9947    0.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1170    2.7590   -0.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2500    2.2819    0.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6626    1.8138    2.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
 22 21  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  0
 14 13  1  0
 13 12  1  0
 12 11  1  0
 11 10  1  0
 10  8  1  0
  8  9  1  0
  8  7  2  0
  7  6  1  0
  6  5  1  0
  5  3  1  0
  3  4  1  0
  3  2  2  0
  6 23  1  0
 23 25  1  0
 23 24  2  0
 22 55  1  0
 22 56  1  0
 22 57  1  0
 21 53  1  0
 21 54  1  0
 20 51  1  0
 20 52  1  0
 19 49  1  0
 19 50  1  0
 18 47  1  0
 18 48  1  0
 17 45  1  0
 17 46  1  0
 16 43  1  0
 16 44  1  0
 15 41  1  0
 15 42  1  0
 14 39  1  0
 14 40  1  0
 13 37  1  0
 13 38  1  0
 12 35  1  0
 12 36  1  0
 11 33  1  0
 11 34  1  0
 10 31  1  0
 10 32  1  0
  9 30  1  0
  6 29  1  1
  5 27  1  0
  5 28  1  0
  4 26  1  0
  2  1  1  0
 25 58  1  0
M  END


  Mrv1652309042210432D          

 24 23  0  0  1  0            999 V2000
    4.7586    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    3.5724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4756    3.9849    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.4756    4.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1901    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1901    6.0474    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9046    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1901    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9046    3.9849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1901    2.7474    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  4  0  0  0
 14 16  2  0  0  0  0
 17 16  1  6  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
 17 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0191691

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCC(O)=N[C@H](CC(O)=N)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)20-15(18(23)24)14-16(19)21/h15H,2-14H2,1H3,(H2,19,21)(H,20,22)(H,23,24)/t15-/m1/s1

> <INCHI_KEY>
XCYGCBVZSVXYON-OAHLLOKOSA-N

> <FORMULA>
C18H34N2O4

> <MOLECULAR_WEIGHT>
342.48

> <EXACT_MASS>
342.251857583

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
40.60325561796836

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R)-3-(C-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid

> <JCHEM_LOGP>
2.3115710234550724

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
4.025815781910204

> <JCHEM_PKA_STRONGEST_ACIDIC>
-1.4741925301295025

> <JCHEM_PKA_STRONGEST_BASIC>
12.920648587331868

> <JCHEM_POLAR_SURFACE_AREA>
113.97000000000001

> <JCHEM_REFRACTIVITY>
104.49489999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-3-(C-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       8.883   6.668   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.216   7.438   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.884   7.438   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.217   6.668   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.551   7.438   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.885   6.668   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      18.218   7.438   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      19.552   6.668   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      20.886   7.438   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      22.219   6.668   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      23.553   7.438   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      24.887   6.668   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      26.220   7.438   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      26.220   8.978   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0      27.554   6.668   0.000  0.00  0.00           N+0
HETATM   17  C   UNK     0      28.888   7.438   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      28.888   8.978   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      30.222   9.748   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      30.222  11.288   0.000  0.00  0.00           N+0
HETATM   21  O   UNK     0      31.555   8.978   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      30.222   6.668   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      31.555   7.438   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      30.222   5.128   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   22                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
CONECT   22   17   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₃₄N₂O₄

Average Mass

342.4800 Da

Monoisotopic Mass

342.25186 Da

IUPAC Name

(2R)-3-(C-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid

Traditional Name

(2R)-3-(C-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCC(O)=N[C@H](CC(O)=N)C(O)=O

InChI Identifier

InChI=1S/C18H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)20-15(18(23)24)14-16(19)21/h15H,2-14H2,1H3,(H2,19,21)(H,20,22)(H,23,24)/t15-/m1/s1

InChI Key

XCYGCBVZSVXYON-OAHLLOKOSA-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 asparagine and derivatives. Asparagine and derivatives are compounds containing asparagine or a derivative thereof resulting from reaction of asparagine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Asparagine and derivatives

Alternative Parents

Substituents

Asparagine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Fatty acid
Carboxamide group
Secondary carboxylic acid amide
Primary carboxylic acid amide
Carboxylic acid
Monocarboxylic acid or derivatives
Carbonyl group
Organonitrogen compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	2.31	ChemAxon
pKa (Strongest Acidic)	-1.5	ChemAxon
pKa (Strongest Basic)	12.92	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	113.97 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	104.49 m³·mol⁻¹	ChemAxon
Polarizability	40.6 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

79536405

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

102500690

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wong JJ, Ho FK, Choo PY, Chong KKL, Ho CMB, Neelakandan R, Keogh D, Barkham T, Chen J, Liu CF, Kline KA: Escherichia coli BarA-UvrY regulates the pks island and kills Staphylococci via the genotoxin colibactin during interspecies competition. PLoS Pathog. 2022 Sep 6;18(9):e1010766. doi: 10.1371/journal.ppat.1010766. eCollection 2022 Sep. [PubMed:36067266 ]
LOTUS database [Link]

Showing NP-Card for (2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid (NP0191691)

MOL for NP0191691 ((2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid)

3D MOL for NP0191691 ((2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid)

3D SDF for NP0191691 ((2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid)

3D-SDF for NP0191691 ((2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid)

PDB for NP0191691 ((2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid)

3D PDB for NP0191691 ((2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid)

SMILES for NP0191691 ((2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid)

INCHI for NP0191691 ((2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid)

Structure for NP0191691 ((2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid)

3D Structure for NP0191691 ((2r)-3-(c-hydroxycarbonimidoyl)-2-[(1-hydroxytetradecylidene)amino]propanoic acid)