NP-MRD: Showing NP-Card for (2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid (NP0241939)

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Record Information

Version

2.0

Created at

2022-09-07 02:07:58 UTC

Updated at

2022-09-07 02:07:58 UTC

NP-MRD ID

NP0241939

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid

Description

Muramic acid 6-phosphate belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. (2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid was first documented in 1983 (PMID: 6874676). Based on a literature review a significant number of articles have been published on Muramic acid 6-phosphate (PMID: 1627160) (PMID: 2914854) (PMID: 2986963) (PMID: 3918862) (PMID: 6427197).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 39 38  0  0  0  0  0  0  0  0999 V2000
   -1.2129    3.0556    0.8433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5918    1.7381    0.1870 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3472    0.6570    0.9792 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5098   -0.3015    0.4069 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1273   -1.6561    0.3455 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4627   -2.1262    1.6724 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2925   -1.7408   -0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3421   -2.1734   -0.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6933   -0.3516    1.3152 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2870    0.9309    1.3349 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7469   -1.3321    0.9414 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7397   -1.2182    1.9589 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4817   -0.9472   -0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200   -1.0356   -1.3868 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4016   -0.6155   -2.8071 P   0  0  0  0  0  5  0  0  0  0  0  0
    2.4213   -1.8106   -3.7430 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5828    0.6704   -3.5518 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9594   -0.1022   -2.4662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0399    1.8222   -0.0914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5653    2.7161   -0.8108 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8862    0.8776    0.4582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1742    3.3469    0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8755    3.8862    0.5236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2903    2.9967    1.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0779    1.6632   -0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390    0.0694   -0.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3807   -2.3681   -0.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108   -3.1389    1.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2894   -1.6012    2.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1445   -1.4120   -1.5966 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3372   -0.5299    2.3670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961    1.4735    2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4164   -2.3723    0.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9582   -0.2576    1.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3198   -1.6722   -0.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8922    0.0951   -0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6752    1.4579   -2.9659 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4214    0.2707   -3.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2902    1.0359    1.3946 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  4  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 17  1  0
 15 18  1  0
 15 16  2  0
  2 19  1  0
 19 21  1  0
 19 20  2  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  2 25  1  6
  4 26  1  6
  5 27  1  6
  6 28  1  0
  6 29  1  0
  7 30  1  0
  9 31  1  1
 10 32  1  0
 11 33  1  6
 12 34  1  0
 13 35  1  0
 13 36  1  0
 17 37  1  0
 18 38  1  0
 21 39  1  0
M  END


  Mrv1652309072204072D          

 21 20  0  0  1  0            999 V2000
    4.6184    2.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1895    1.8414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9039    3.0789    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    3.0789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    3.9039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4750    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7605    1.8414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7605    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0461    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3316    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3829    1.4289    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0974    1.0164    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0296    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7954    2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0474    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3329    0.6039    0.0000 O   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
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  4  9  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 11 12  1  1  0  0  0
 11 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
 15 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0241939

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C9H18NO10P/c1-4(9(14)15)20-8(5(10)2-11)7(13)6(12)3-19-21(16,17)18/h2,4-8,12-13H,3,10H2,1H3,(H,14,15)(H2,16,17,18)/t4-,5+,6-,7-,8-/m1/s1

> <INCHI_KEY>
ADPNCGPHHZFMFA-OZRXBMAMSA-N

> <FORMULA>
C9H18NO10P

> <MOLECULAR_WEIGHT>
331.214

> <EXACT_MASS>
331.066832782

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
39

> <JCHEM_AVERAGE_POLARIZABILITY>
27.861012180789103

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-2-{[(2R,3R,4R,5R)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid

> <JCHEM_LOGP>
-4.257690850787061

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
3.294550279740547

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4827586550811

> <JCHEM_PKA_STRONGEST_BASIC>
7.00266034546645

> <JCHEM_POLAR_SURFACE_AREA>
196.83999999999997

> <JCHEM_REFRACTIVITY>
65.20570000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2-{[(2R,3R,4R,5R)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       8.621   4.977   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       7.287   2.667   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.954   4.977   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0       7.287   5.747   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       4.620   5.747   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       4.620   7.287   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.620   1.127   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       3.286   4.977   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       1.953   2.667   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       0.619   3.437   0.000  0.00  0.00           O+0
HETATM   15  P   UNK     0      -0.715   2.667   0.000  0.00  0.00           P+0
HETATM   16  O   UNK     0      -2.048   1.897   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0       0.055   1.334   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -1.485   4.001   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       9.955   1.127   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7                                                            
CONECT    9    4   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17   18                                             
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18   15                                                            
CONECT   19    2   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

View in JSmol

Synonyms

Value	Source
Muramate 6-phosphate	Generator
Muramic acid 6-phosphoric acid	Generator

Chemical Formula

C₉H₁₈NO₁₀P

Average Mass

331.2140 Da

Monoisotopic Mass

331.06683 Da

IUPAC Name

(2R)-2-{[(2R,3R,4R,5R)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid

Traditional Name

(2R)-2-{[(2R,3R,4R,5R)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid

CAS Registry Number

Not Available

SMILES

C[C@@H](O[C@H]([C@@H](N)C=O)[C@H](O)[C@H](O)COP(O)(O)=O)C(O)=O

InChI Identifier

InChI=1S/C9H18NO10P/c1-4(9(14)15)20-8(5(10)2-11)7(13)6(12)3-19-21(16,17)18/h2,4-8,12-13H,3,10H2,1H3,(H,14,15)(H2,16,17,18)/t4-,5+,6-,7-,8-/m1/s1

InChI Key

ADPNCGPHHZFMFA-OZRXBMAMSA-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 monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharide phosphates

Alternative Parents

Substituents

Hexose monosaccharide
Monosaccharide phosphate
Monoalkyl phosphate
Amino saccharide
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
1,3-aminoalcohol
1,2-diol
Amino acid
Amino acid or derivatives
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Dialkyl ether
Ether
Monocarboxylic acid or derivatives
Alcohol
Organic oxide
Organic nitrogen compound
Carbonyl group
Hydrocarbon derivative
Amine
Aldehyde
Primary amine
Primary aliphatic amine
Organonitrogen 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	-4.3	ChemAxon
pKa (Strongest Acidic)	1.48	ChemAxon
pKa (Strongest Basic)	7	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	196.84 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	65.21 m³·mol⁻¹	ChemAxon
Polarizability	27.86 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	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

78443552

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101835388

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Siddiqui M, Qureshi MH, Malghani MA, Walker-Nasir E, Fayyaz-ud-Din, Nasir-ud-Din: Structure of a Micrococcus lysodeikticus cell wall fragment containing phosphorylated sugars. Biochem Int. 1992 Mar;26(3):509-19. [PubMed:1627160 ]
Jurgens UJ, Burger-Wiersma T: Peptidoglycan-polysaccharide complex in the cell wall of the filamentous prochlorophyte Prochlorothrix hollandica. J Bacteriol. 1989 Jan;171(1):498-502. doi: 10.1128/jb.171.1.498-502.1989. [PubMed:2914854 ]
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LOTUS database [Link]

Showing NP-Card for (2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid (NP0241939)

MOL for NP0241939 ((2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid)

3D MOL for NP0241939 ((2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid)

3D SDF for NP0241939 ((2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid)

3D-SDF for NP0241939 ((2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid)

PDB for NP0241939 ((2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid)

3D PDB for NP0241939 ((2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid)

SMILES for NP0241939 ((2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid)

INCHI for NP0241939 ((2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid)

Structure for NP0241939 ((2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid)

3D Structure for NP0241939 ((2r)-2-{[(2r,3r,4r,5r)-2-amino-4,5-dihydroxy-1-oxo-6-(phosphonooxy)hexan-3-yl]oxy}propanoic acid)