NP-MRD: Showing NP-Card for 3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid (NP0249728)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-07 12:22:43 UTC

Updated at

2022-09-07 12:22:43 UTC

NP-MRD ID

NP0249728

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid

Description

SCHEMBL17469488 belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. SCHEMBL17469488 is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 51 50  0  0  0  0  0  0  0  0999 V2000
   -4.6199   -1.3530    1.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8916   -0.2556    0.2326 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.1743    0.4703    0.4432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2943   -0.4852    0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4869   -1.1320    1.5580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1076   -0.6474   -0.6046 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8561    0.7075    0.1794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0681    0.9110   -0.9255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2463    0.2283   -1.9409 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0048    1.9392   -0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7441    1.5291   -0.2403 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1873    2.7316   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1204    0.3866   -0.7843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1840   -0.7082    0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1299   -0.5892    1.2494 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8166   -1.9486   -0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2356   -1.7435   -0.7988 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8580   -3.1506   -0.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9593   -1.2187    0.3354 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8074   -0.1293    0.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8757    0.3135   -1.0285 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6125    0.5274    1.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0581    0.5510    0.6975 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.1568    1.2985   -0.5895 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8828    1.1626    1.6489 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6832   -1.8573    0.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6167   -1.0359    2.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4245   -2.1167    1.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9245   -0.7474   -0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1213    1.1364    1.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2826    1.1824   -0.4273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8232   -0.7703   -1.5484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974    2.8285   -0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8446    2.3283   -1.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9444    1.3270    0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3307    3.1333   -1.2791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3517    3.5286    0.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0924    2.4841    0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2547   -2.4358   -1.2726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7922   -2.7076    0.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4424   -1.1432   -1.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0351   -3.5689    0.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8607   -3.0684   -1.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -3.8304   -1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6002   -0.0178    2.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2541    1.5534    1.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4054   -0.5116    0.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1325    0.5285   -1.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3728    2.0484   -0.6585 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1646    1.7776   -0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6120    0.5595    1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
 24 23  1  0
 23 25  1  0
 23 22  1  0
 22 20  1  0
 20 21  2  0
 20 19  1  0
 19 17  1  0
 17 18  1  0
 17 16  1  0
 16 14  1  0
 14 15  2  0
 14 13  1  0
 13 11  1  0
 11 12  1  0
 11 10  1  0
 10  8  1  0
  8  9  2  0
  8  7  1  0
  7  2  1  0
  2  1  1  0
  2  3  1  0
  3  4  1  0
  4  6  1  0
  4  5  2  0
 24 48  1  0
 24 49  1  0
 24 50  1  0
 23 47  1  6
 25 51  1  0
 22 45  1  0
 22 46  1  0
 17 41  1  6
 18 42  1  0
 18 43  1  0
 18 44  1  0
 16 39  1  0
 16 40  1  0
 11 35  1  1
 12 36  1  0
 12 37  1  0
 12 38  1  0
 10 33  1  0
 10 34  1  0
  2 29  1  6
  1 26  1  0
  1 27  1  0
  1 28  1  0
  3 30  1  0
  3 31  1  0
  6 32  1  0
M  END


  Mrv1533004161513092D          

 25 24  0  0  0  0            999 V2000
    7.9480    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    4.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914    4.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8059    5.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5204    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5204    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2349    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9493    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9493    4.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6638    5.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3783    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3783    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0927    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072    4.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5217    5.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362    4.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9506    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3796    5.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651    4.1763    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
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0249728

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC(C)CC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H26O9/c1-9(17)5-14(20)24-11(3)7-16(22)25-12(4)8-15(21)23-10(2)6-13(18)19/h9-12,17H,5-8H2,1-4H3,(H,18,19)

> <INCHI_KEY>
KKXWXOTXCXUUCX-UHFFFAOYSA-N

> <FORMULA>
C16H26O9

> <MOLECULAR_WEIGHT>
362.375

> <EXACT_MASS>
362.157682417

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
35.807131548000044

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid

> <ALOGPS_LOGP>
0.83

> <JCHEM_LOGP>
0.44538937666666634

> <ALOGPS_LOGS>
-2.15

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
15.407216648532593

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.91219242489487

> <JCHEM_PKA_STRONGEST_BASIC>
-2.6206834379323016

> <JCHEM_POLAR_SURFACE_AREA>
136.43

> <JCHEM_REFRACTIVITY>
83.37980000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.56e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 16-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   16-APR-15         0                                  
HETATM    1  C   UNK     0      14.836  10.106   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      16.170   9.336   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      16.170   7.796   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      17.504  10.106   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.837   9.336   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      18.837   7.796   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      20.171  10.106   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      21.505   9.336   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      21.505   7.796   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      22.838  10.106   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      24.172   9.336   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      24.172   7.796   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      25.506  10.106   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      26.839   9.336   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      26.839   7.796   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      28.173  10.106   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      29.507   9.336   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      29.507   7.796   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      30.840  10.106   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      32.174   9.336   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      32.174   7.796   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      33.508  10.106   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      34.842   9.336   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      36.175  10.106   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0      34.842   7.796   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    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24   25                                                  
CONECT   24   23                                                            
CONECT   25   23                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₆O₉

Average Mass

362.3750 Da

Monoisotopic Mass

362.15768 Da

IUPAC Name

3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid

Traditional Name

3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid

CAS Registry Number

Not Available

SMILES

CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC(C)CC(O)=O

InChI Identifier

InChI=1S/C16H26O9/c1-9(17)5-14(20)24-11(3)7-16(22)25-12(4)8-15(21)23-10(2)6-13(18)19/h9-12,17H,5-8H2,1-4H3,(H,18,19)

InChI Key

KKXWXOTXCXUUCX-UHFFFAOYSA-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 tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tetracarboxylic acids and derivatives

Direct Parent

Tetracarboxylic acids and derivatives

Alternative Parents

Substituents

Tetracarboxylic acid or derivatives
Fatty acid ester
Beta-hydroxy acid
Fatty acyl
Hydroxy acid
Secondary alcohol
Carboxylic acid ester
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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	0.83	ALOGPS
logP	0.45	ChemAxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	3.91	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	136.43 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	83.38 m³·mol⁻¹	ChemAxon
Polarizability	35.81 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

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

13967628

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid (NP0249728)

MOL for NP0249728 (3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid)

3D MOL for NP0249728 (3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid)

3D SDF for NP0249728 (3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid)

3D-SDF for NP0249728 (3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid)

PDB for NP0249728 (3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid)

3D PDB for NP0249728 (3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid)

SMILES for NP0249728 (3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid)

INCHI for NP0249728 (3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid)

Structure for NP0249728 (3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid)

3D Structure for NP0249728 (3-{[3-({3-[(3-hydroxybutanoyl)oxy]butanoyl}oxy)butanoyl]oxy}butanoic acid)