NP-MRD: Showing NP-Card for (3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid (NP0213693)

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Record Information

Version

2.0

Created at

2022-09-05 12:45:13 UTC

Updated at

2022-09-05 12:45:13 UTC

NP-MRD ID

NP0213693

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid

Description

(3S)-3-hydroxy-4-oxo-4-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety. (3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid is found in Aloe vera. Based on a literature review very few articles have been published on (3S)-3-hydroxy-4-oxo-4-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 36 36  0  0  0  0  0  0  0  0999 V2000
    4.2349    0.1478   -1.4628 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1624    0.9748   -0.5210 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5241    2.2913   -0.8230 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7194    0.5942    0.8442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084   -0.9005    0.8113 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5512   -1.6086    0.4517 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3244   -1.1081   -0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5420   -1.8506   -1.1611 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0967   -0.5180   -0.0463 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0381   -0.6981   -0.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1921    0.0814   -0.5621 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1710   -0.1361   -1.4981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3685    0.4830   -1.2440 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.3788   -0.2808   -1.8717 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6912    0.6369    0.2113 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0354    1.7857    0.6940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0742   -0.5375    0.9686 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.4253   -1.6920    0.2522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5625   -0.3689    0.8281 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1289    0.5888    1.7477 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5332    2.4807   -0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8622    1.1766    1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5595    0.8007    1.5511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -1.2662    1.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3135   -1.1647    0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2391   -1.7721   -0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3642   -0.4366   -2.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9142    1.1552   -0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4502    1.4977   -1.7096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2222   -0.2362   -1.3549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7811    0.6900    0.3426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4071    2.6043    0.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3740   -0.5694    2.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6622   -2.3307    0.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0771   -1.3228    1.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1782    0.8088    1.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  1  0
  5  4  1  0
  4  2  1  0
  2  3  1  0
  2  1  2  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 11  1  0
  6 25  1  0
  5 24  1  1
  4 22  1  0
  4 23  1  0
  3 21  1  0
 10 26  1  0
 10 27  1  0
 11 28  1  1
 13 29  1  6
 14 30  1  0
 15 31  1  6
 16 32  1  0
 17 33  1  1
 18 34  1  0
 19 35  1  1
 20 36  1  0
M  END


  Mrv1652309052214452D          

 20 20  0  0  1  0            999 V2000
    0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    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  1  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  1  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0213693

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H](CC(O)=O)C(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O10/c11-3(1-5(12)13)9(17)19-2-4-6(14)7(15)8(16)10(18)20-4/h3-4,6-8,10-11,14-16,18H,1-2H2,(H,12,13)/t3-,4+,6+,7-,8+,10+/m0/s1

> <INCHI_KEY>
LTGWOUXMVWPYGH-UALZLMCPSA-N

> <FORMULA>
C10H16O10

> <MOLECULAR_WEIGHT>
296.228

> <EXACT_MASS>
296.074346715

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
26.39495255194534

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3S)-3-hydroxy-4-oxo-4-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid

> <JCHEM_LOGP>
-3.3817095213333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.282451762447296

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.550142777512388

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6490772420289863

> <JCHEM_POLAR_SURFACE_AREA>
173.98

> <JCHEM_REFRACTIVITY>
57.3064

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(3S)-3-hydroxy-4-oxo-4-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  O   UNK     0       1.334  -6.930   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      12.003  -6.930   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      14.670  -6.930   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      14.670 -10.010   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.003 -11.550   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       9.336 -10.010   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    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   19                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   11   20                                                  
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

View in JSmol

Synonyms

Value	Source
(3S)-3-Hydroxy-4-oxo-4-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoate	Generator

Chemical Formula

C₁₀H₁₆O₁₀

Average Mass

296.2280 Da

Monoisotopic Mass

296.07435 Da

IUPAC Name

(3S)-3-hydroxy-4-oxo-4-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid

Traditional Name

(3S)-3-hydroxy-4-oxo-4-{[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid

CAS Registry Number

Not Available

SMILES

O[C@@H](CC(O)=O)C(=O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C10H16O10/c11-3(1-5(12)13)9(17)19-2-4-6(14)7(15)8(16)10(18)20-4/h3-4,6-8,10-11,14-16,18H,1-2H2,(H,12,13)/t3-,4+,6+,7-,8+,10+/m0/s1

InChI Key

LTGWOUXMVWPYGH-UALZLMCPSA-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

Species Name	Source	Reference
Aloe vera	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as saccharolipids. Saccharolipids are compounds in which fatty acids are linked directly to a sugar backbone, forming structures that are compatible with membrane bilayers. In the saccharolipids, a sugar substitutes for the glycerol backbone that is present in glycerolipids and glycerophospholipids. The most familiar saccharolipids contain an acylated glucosamine. In contrast to others glycolipids, the fatty acid is not glycosidically linked to the sugar moiety.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Saccharolipids

Sub Class

Not Available

Direct Parent

Saccharolipids

Alternative Parents

Substituents

Saccharolipid
Beta-hydroxy acid
Fatty acid ester
Heterocyclic fatty acid
Hydroxy fatty acid
Short-chain hydroxy acid
Sugar acid
Dicarboxylic acid or derivatives
Hydroxy acid
Monosaccharide
Oxane
Fatty acyl
Hemiacetal
Carboxylic acid ester
Secondary alcohol
Oxacycle
Carboxylic acid
Polyol
Carboxylic acid derivative
Organoheterocyclic compound
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic 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	-3.4	ChemAxon
pKa (Strongest Acidic)	3.55	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	173.98 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	57.31 m³·mol⁻¹	ChemAxon
Polarizability	26.39 Å³	ChemAxon
Number of Rings	1	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

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

163006481

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid (NP0213693)

MOL for NP0213693 ((3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid)

3D MOL for NP0213693 ((3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid)

3D SDF for NP0213693 ((3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid)

3D-SDF for NP0213693 ((3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid)

PDB for NP0213693 ((3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid)

3D PDB for NP0213693 ((3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid)

SMILES for NP0213693 ((3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid)

INCHI for NP0213693 ((3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid)

Structure for NP0213693 ((3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid)

3D Structure for NP0213693 ((3s)-3-hydroxy-4-oxo-4-{[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}butanoic acid)