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Showing NP-Card for Pectin (NP0000838)

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Record Information
Version2.0
Created at2006-08-12 20:13:01 UTC
Updated at2022-01-19 17:31:54 UTC
NP-MRD IDNP0000838
Secondary Accession Numbers
  • NP0002655
Natural Product Identification
Common NamePectin
DescriptionPectin, also known as galacturonate or D-lyxose, is a structural acidic heteropolysaccharide contained in the primary and middle lamella and cell walls of terrestrial plants. Its main component is galacturonic acid, a sugar acid derived from galactose. It was first isolated and described in 1825 by Henri Braconnot. It is produced commercially as a white to light brown powder, mainly extracted from citrus fruits, and is used in food as a gelling agent, particularly in jams and jellies. It is also used in dessert fillings, medicines, sweets, as a stabiliser in fruit juices and milk drinks, and as a source of dietary fibre. In plant biology, pectin consists of a complex set of polysaccharides (see below) that are present in most primary cell walls and are particularly abundant in the non-woody parts of terrestrial plants. Pectin is a major component of the middle lamella, where it helps to bind cells together, but is also found in primary cell walls. Pectin is deposited by exocytosis into the cell wall via vesicles produced in the golgi. Pectin is a natural part of the human diet, but does not contribute significantly to nutrition. The daily intake of pectin from fruits and vegetables can be estimated to be around 5g if approximately 500g of fruits and vegetables are consumed per day.
Structure
Thumb
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0000838 (Pectin)


     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.9639   -0.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9942    1.7041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820    1.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440    1.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    2.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4601    0.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517    0.0304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1504   -0.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613   -2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2755   -1.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562   -2.2682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3858    2.2639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1847   -1.6142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3622    2.9158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137    4.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2532    1.8635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0324    0.9556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6496   -0.9275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529   -2.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4306   -2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2452   -3.7533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12  4  1  0
  3 14  1  0
  4 15  1  6
  6 16  1  6
  7 17  1  0
  8 18  1  1
  9 19  1  0
 10 20  1  6
 11 21  1  0
 12 22  1  6
 13 23  1  0
M  END
Download

3D MOL for NP0000838 (Pectin)

HMDB0003402
     RDKit          3D
Pectin
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.1099   -1.3649    0.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471   -0.2811    0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860    0.7922   -0.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939   -0.1773    0.4767 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7248    1.1048    0.1574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6085    1.3820    0.2854 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9871    2.1180   -0.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    0.1895    0.4897 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4559   -0.2297    1.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0951   -0.9769   -0.3889 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4991   -0.7315   -1.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987   -1.2113   -0.3991 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9208   -1.2045   -1.6848 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7669    1.4481    0.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570   -0.4404    1.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381    2.0817    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650    2.5485   -0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165    0.4693    0.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0183    0.3940    2.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396   -1.8665   -0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9291    0.1375   -1.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5864   -2.2200    0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5353   -1.9615   -2.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12  4  1  0
  3 14  1  0
  4 15  1  1
  6 16  1  1
  7 17  1  0
  8 18  1  6
  9 19  1  0
 10 20  1  1
 11 21  1  0
 12 22  1  1
 13 23  1  0
M  END
Download

3D SDF for NP0000838 (Pectin)


     RDKit          2D

 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.9639   -0.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9942    1.7041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3917   -0.3409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0820    1.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440    1.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5246    2.5176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4601    0.5903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517    0.0304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1504   -0.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3613   -2.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2755   -1.3430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562   -2.2682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3858    2.2639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1847   -1.6142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3622    2.9158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3137    4.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2532    1.8635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0324    0.9556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6496   -0.9275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7529   -2.9224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4306   -2.6664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2452   -3.7533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12  4  1  0
  3 14  1  0
  4 15  1  6
  6 16  1  6
  7 17  1  0
  8 18  1  1
  9 19  1  0
 10 20  1  6
 11 21  1  0
 12 22  1  6
 13 23  1  0
M  END
> <DATABASE_ID>
NP0000838

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1

> <INCHI_KEY>
AEMOLEFTQBMNLQ-DTEWXJGMSA-N

> <FORMULA>
C6H10O7

> <MOLECULAR_WEIGHT>
194.1394

> <EXACT_MASS>
194.042652674

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
16.369534945317536

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid

> <ALOGPS_LOGP>
-2.30

> <JCHEM_LOGP>
-2.61226468

> <ALOGPS_LOGS>
0.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.309229286068723

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.207791058651709

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6863365702254773

> <JCHEM_POLAR_SURFACE_AREA>
127.45000000000002

> <JCHEM_REFRACTIVITY>
35.7908

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.95e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-D-galactopyranuronic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for NP0000838 (Pectin)

HMDB0003402
     RDKit          3D
Pectin
 23 23  0  0  0  0  0  0  0  0999 V2000
    3.1099   -1.3649    0.5400 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5471   -0.2811    0.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2860    0.7922   -0.1085 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939   -0.1773    0.4767 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7248    1.1048    0.1574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6085    1.3820    0.2854 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.9871    2.1180   -0.8640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    0.1895    0.4897 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4559   -0.2297    1.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0951   -0.9769   -0.3889 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4991   -0.7315   -1.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3987   -1.2113   -0.3991 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9208   -1.2045   -1.6848 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7669    1.4481    0.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570   -0.4404    1.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7381    2.0817    1.1432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8650    2.5485   -0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5165    0.4693    0.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0183    0.3940    2.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6396   -1.8665   -0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9291    0.1375   -1.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5864   -2.2200    0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5353   -1.9615   -2.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 12  4  1  0
  3 14  1  0
  4 15  1  1
  6 16  1  1
  7 17  1  0
  8 18  1  6
  9 19  1  0
 10 20  1  1
 11 21  1  0
 12 22  1  1
 13 23  1  0
M  END
Download

PDB for NP0000838 (Pectin)

HEADER    PROTEIN                                 20-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-MAR-20         0                                  
HETATM    1  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    9                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   11                                                  
CONECT    5    4    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7    2   10                                                  
CONECT   10    9                                                            
CONECT   11    4   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   26    0
END
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3D PDB for NP0000838 (Pectin)

COMPND    HMDB0003402
HETATM    1  O1  UNL     1       3.110  -1.365   0.540  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.547  -0.281   0.305  1.00  0.00           C  
HETATM    3  O2  UNL     1       3.286   0.792  -0.108  1.00  0.00           O  
HETATM    4  C2  UNL     1       1.094  -0.177   0.477  1.00  0.00           C  
HETATM    5  O3  UNL     1       0.725   1.105   0.157  1.00  0.00           O  
HETATM    6  C3  UNL     1      -0.609   1.382   0.285  1.00  0.00           C  
HETATM    7  O4  UNL     1      -0.987   2.118  -0.864  1.00  0.00           O  
HETATM    8  C4  UNL     1      -1.474   0.190   0.490  1.00  0.00           C  
HETATM    9  O5  UNL     1      -1.456  -0.230   1.805  1.00  0.00           O  
HETATM   10  C5  UNL     1      -1.095  -0.977  -0.389  1.00  0.00           C  
HETATM   11  O6  UNL     1      -1.499  -0.732  -1.703  1.00  0.00           O  
HETATM   12  C6  UNL     1       0.399  -1.211  -0.399  1.00  0.00           C  
HETATM   13  O7  UNL     1       0.921  -1.204  -1.685  1.00  0.00           O  
HETATM   14  H1  UNL     1       3.767   1.448   0.496  1.00  0.00           H  
HETATM   15  H2  UNL     1       0.857  -0.440   1.540  1.00  0.00           H  
HETATM   16  H3  UNL     1      -0.738   2.082   1.143  1.00  0.00           H  
HETATM   17  H4  UNL     1      -1.865   2.548  -0.737  1.00  0.00           H  
HETATM   18  H5  UNL     1      -2.517   0.469   0.211  1.00  0.00           H  
HETATM   19  H6  UNL     1      -2.018   0.394   2.360  1.00  0.00           H  
HETATM   20  H7  UNL     1      -1.640  -1.867  -0.025  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.929   0.137  -1.762  1.00  0.00           H  
HETATM   22  H9  UNL     1       0.586  -2.220   0.032  1.00  0.00           H  
HETATM   23  H10 UNL     1       0.535  -1.962  -2.169  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4
CONECT    3   14
CONECT    4    5   12   15
CONECT    5    6
CONECT    6    7    8   16
CONECT    7   17
CONECT    8    9   10   18
CONECT    9   19
CONECT   10   11   12   20
CONECT   11   21
CONECT   12   13   22
CONECT   13   23
END
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SMILES for NP0000838 (Pectin)

O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
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INCHI for NP0000838 (Pectin)

InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
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Synonyms
ValueSource
(+)-XyloseHMDB
2,3,4,5-TetrahydroxypentanalHMDB
D-LyxoseHMDB
DL-XyloseHMDB
L(+)-XyloseHMDB
L-LyxoseHMDB
LyxoseHMDB
Pectin sugarHMDB
PectinoseHMDB
PentoseHMDB
TrobicinHMDB
Pectinic acidHMDB
Calcium pectinateHMDB
Methoxy pectinHMDB
MethoxylpectinHMDB
MethoxypectinHMDB
Zinc pectinateHMDB
GalacturonateHMDB
b-D-GalacturonateHMDB
b-D-Galacturonic acidHMDB
beta-D-GalacturonateHMDB
Β-D-galacturonateHMDB
Β-D-galacturonic acidHMDB
b-D-GalactopyranuronateHMDB
b-D-Galactopyranuronic acidHMDB
beta-D-GalactopyranuronateHMDB
Β-D-galactopyranuronateHMDB
Β-D-galactopyranuronic acidHMDB
PectinMeSH
Chemical FormulaC6H10O7
Average Mass194.1394 Da
Monoisotopic Mass194.04265 Da
IUPAC Name(2S,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
Traditional Nameβ-D-galactopyranuronic acid
CAS Registry Number9000-69-5
SMILES
O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O
InChI Identifier
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6+/m0/s1
InChI KeyAEMOLEFTQBMNLQ-DTEWXJGMSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, simulated)Ahselim2022-07-18View Spectrum
1D NMR1H NMR Spectrum (1D, 700 MHz, H2O, simulated)Ahselim2022-01-19View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, simulated)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Achyranthes bidentataPlant
Allium sativumLOTUS Database
Anas platyrhynchosFooDB
AnatidaeFooDB
Annona squamosaPlant
Anser anserFooDB
Arabidopsis thalianaPlant
Astragalus pectinatusKNApSAcK Database
Astragalus praelongusKNApSAcK Database
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Brassica oleracea var. capitataKNApSAcK Database
Bubalus bubalisFooDB
Cannabis sativaCannabisDB
      Not Available
Capra aegagrus hircusFooDB
CervidaeFooDB
Cervus canadensisFooDB
Citrus depressaLOTUS Database
ColumbaFooDB
ColumbidaeFooDB
Daucus carotaPlant
Dromaius novaehollandiaeFooDB
Equus caballusFooDB
Eremurus luteusLOTUS Database
Gallus gallusFooDB
Gaultheria miquelianaPlant
Helianthus annuusLOTUS Database
Lagopus mutaFooDB
Lecythis ollariaKNApSAcK Database
LeporidaeFooDB
Lepus timidusFooDB
Marchantia berteroanaPlant
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Mentha piperitaLOTUS Database
Morinda reticulataKNApSAcK Database
Neptunia amplexicaulisKNApSAcK Database
Numida meleagrisFooDB
OdocoileusFooDB
OryctolagusFooDB
Ovis ariesFooDB
Phaseolus vulgarisPlant
PhasianidaeFooDB
Phasianus colchicusFooDB
Pisum sativumPlant
Punica granatumLOTUS Database
Salix albaLOTUS Database
Stanleya pinnataKNApSAcK Database
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Triticum aestivumPlant
Species Where Detected
Species NameSourceReference
Aspergillus fumigatusKNApSAcK Database
Aspergillus terreusKNApSAcK Database
Penicillium chrysogenumKNApSAcK Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentGlucuronic acid derivatives
Alternative Parents
Substituents
  • Glucuronic acid or derivatives
  • Beta-hydroxy acid
  • Hydroxy acid
  • Pyran
  • Monosaccharide
  • Oxane
  • Hemiacetal
  • Secondary alcohol
  • Carboxylic acid derivative
  • Carboxylic acid
  • Oxacycle
  • Organoheterocyclic compound
  • Monocarboxylic acid or derivatives
  • Polyol
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility295 g/LALOGPS
logP-2.3ALOGPS
logP-2.6ChemAxon
logS0.18ALOGPS
pKa (Strongest Acidic)3.21ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area127.45 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity35.79 m³·mol⁻¹ChemAxon
Polarizability16.37 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0003402
DrugBank IDDB03652
Phenol Explorer Compound IDNot Available
FoodDB IDFDB023162
KNApSAcK IDC00001392
Chemspider ID390200
KEGG Compound IDC08348
BioCyc IDPECTIN
BiGG ID34162
Wikipedia LinkPectin
METLIN ID6916
PubChem Compound441476
PDB IDNot Available
ChEBI ID47954
Good Scents IDNot Available
References
General References
  1. Andoh A, Bamba T, Sasaki M: Physiological and anti-inflammatory roles of dietary fiber and butyrate in intestinal functions. JPEN J Parenter Enteral Nutr. 1999 Sep-Oct;23(5 Suppl):S70-3. [PubMed:10483900 ]
  2. Fleming SE, Marthinsen D, Kuhnlein H: Colonic function and fermentation in men consuming high fiber diets. J Nutr. 1983 Dec;113(12):2535-44. [PubMed:6317826 ]
  3. Lewinska D, Rosinski S, Piatkiewicz W: A new pectin-based material for selective LDL-cholesterol removal. Artif Organs. 1994 Mar;18(3):217-22. [PubMed:8185488 ]
  4. Kelsay JL, Goering HK, Behall KM, Prather ES: Effect of fiber from fruits and vegetables on metabolic responses of human subjects: fiber intakes, fecal excretions, and apparent digestibilities. Am J Clin Nutr. 1981 Sep;34(9):1849-52. [PubMed:6269418 ]
  5. Baig MM, Cerda JJ: Pectin: its interaction with serum lipoproteins. Am J Clin Nutr. 1981 Jan;34(1):50-3. [PubMed:7446458 ]
  6. Lairon D, Lafont H, Vigne JL, Nalbone G, Leonardi J, Hauton JC: Effects of dietary fibers and cholestyramine on the activity of pancreatic lipase in vitro. Am J Clin Nutr. 1985 Oct;42(4):629-38. [PubMed:2996326 ]
  7. Miettinen TA, Tarpila S: Effect of pectin on serum cholesterol, fecal bile acids and biliary lipids in normolipidemic and hyperlipidemic individuals. Clin Chim Acta. 1977 Sep 1;79(2):471-7. [PubMed:890983 ]
  8. Bosaeus I, Carlsson NG, Sandberg AS, Andersson H: Effect of wheat bran and pectin on bile acid and cholesterol excretion in ileostomy patients. Hum Nutr Clin Nutr. 1986 Nov;40(6):429-40. [PubMed:3025137 ]
  9. Fan TY, Feng QQ, Jia CR, Fan Q, Li CA, Bai XL: Protective effect of Weikang decoction and partial ingredients on model rat with gastric mucosa ulcer. World J Gastroenterol. 2005 Feb 28;11(8):1204-9. [PubMed:15754406 ]
  10. Levy MC, Edwards-Levy F: Coating alginate beads with cross-linked biopolymers: a novel method based on a transacylation reaction. J Microencapsul. 1996 Mar-Apr;13(2):169-83. [PubMed:8999122 ]
  11. Veldman FJ, Nair CH, Vorster HH, Vermaak WJ, Jerling JC, Oosthuizen W, Venter CS: Possible mechanisms through which dietary pectin influences fibrin network architecture in hypercholesterolaemic subjects. Thromb Res. 1999 Mar 15;93(6):253-64. [PubMed:10093966 ]
  12. Mall AK, Misra V, Santeshwari, Pathak AD, Srivastava S: Sugar Beet Cultivation in India: Prospects for Bio-Ethanol Production and Value-Added Co-Products. Sugar Tech. 2021 Jul 7:1-17. doi: 10.1007/s12355-021-01007-0. [PubMed:34248307 ]