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Showing metabocard for Aldehydo-L-iduronate (HMDB0062783)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2017-03-23 06:18:17 UTC
Update Date2022-03-07 03:17:59 UTC
HMDB IDHMDB0062783
Secondary Accession Numbers
  • HMDB62783
Metabolite Identification
Common NameAldehydo-L-iduronate
DescriptionAldehydo-L-iduronate, also known as (D)-galacturonic acid or hexuronate, 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. Based on a literature review very few articles have been published on Aldehydo-L-iduronate.
Structure
Data?1563866360
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0062783 (Aldehydo-L-iduronate)


  Mrv1652305171804082D          

 13 12  0  0  0  0            999 V2000
    2.4750    1.4289    0.0000 C   0  0  0  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  0  0  0  0  0  0  0  0  0  0
    1.0461    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  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
Download

3D MOL for HMDB0062783 (Aldehydo-L-iduronate)

HMDB0242529
     RDKit          3D
(2S,3R,4R,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoic acid
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.6619   -0.6420    1.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883   -0.8967    0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2026    0.0437   -0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464    1.1527   -0.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339    0.5509   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783    1.4926   -0.9486 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820   -0.5704    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -1.1116   -1.2682 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5290    0.0870    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8102    1.0908   -0.5674 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079   -0.9237    0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617   -1.8871    1.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143   -0.7719   -0.3910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1697   -1.8274    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665   -0.4465   -1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7798    1.7120    0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828    1.0088    0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3532    2.3837   -0.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0334   -1.3310    0.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3211   -0.3300   -1.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4594    0.5693    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109    1.8963   -0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6459   -0.5530   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
 13 23  1  0
M  END
Download

3D SDF for HMDB0062783 (Aldehydo-L-iduronate)


  Mrv1652305171804082D          

 13 12  0  0  0  0            999 V2000
    2.4750    1.4289    0.0000 C   0  0  0  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  0  0  0  0  0  0  0  0  0  0
    1.0461    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  0  0  0  0  0  0  0  0  0  0
    3.1895    2.6664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9039    0.6039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    2.6664    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
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 13 11  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0062783

> <DATABASE_NAME>
hmdb

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

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

> <INCHI_KEY>
IAJILQKETJEXLJ-UHFFFAOYSA-N

> <FORMULA>
C6H10O7

> <MOLECULAR_WEIGHT>
194.139

> <EXACT_MASS>
194.042652662

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
23

> <JCHEM_AVERAGE_POLARIZABILITY>
16.206710780318033

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,3,4,5-tetrahydroxy-6-oxohexanoic acid

> <ALOGPS_LOGP>
-2.32

> <JCHEM_LOGP>
-3.248086025

> <ALOGPS_LOGS>
-0.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.262057101736255

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.237887361089809

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6897568428527263

> <JCHEM_POLAR_SURFACE_AREA>
135.29

> <JCHEM_REFRACTIVITY>
37.213

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.00e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
glucuronic acid

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0062783 (Aldehydo-L-iduronate)

HMDB0242529
     RDKit          3D
(2S,3R,4R,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoic acid
 23 22  0  0  0  0  0  0  0  0999 V2000
   -3.6619   -0.6420    1.2689 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6883   -0.8967    0.6157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2026    0.0437   -0.4251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0464    1.1527   -0.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339    0.5509   -0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783    1.4926   -0.9486 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820   -0.5704    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2545   -1.1116   -1.2682 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5290    0.0870    0.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8102    1.0908   -0.5674 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6079   -0.9237    0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4617   -1.8871    1.2048 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7143   -0.7719   -0.3910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1697   -1.8274    0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1665   -0.4465   -1.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7798    1.7120    0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8828    1.0088    0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3532    2.3837   -0.5199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0334   -1.3310    0.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3211   -0.3300   -1.8884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4594    0.5693    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109    1.8963   -0.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6459   -0.5530   -0.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
 13 23  1  0
M  END
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PDB for HMDB0062783 (Aldehydo-L-iduronate)

HEADER    PROTEIN                                 17-MAY-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-MAY-18         0                                  
HETATM    1  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       4.620   1.127   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       3.286   3.437   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       1.953   2.667   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       5.954   3.437   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.954   4.977   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       7.287   1.127   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       8.621   4.977   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       9.955   1.127   0.000  0.00  0.00           O+0
CONECT    1    2    3    5                                                  
CONECT    2    1                                                            
CONECT    3    1    4                                                       
CONECT    4    3                                                            
CONECT    5    1    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   24    0
END
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3D PDB for HMDB0062783 (Aldehydo-L-iduronate)

COMPND    HMDB0243499
HETATM    1  O1  UNL     1      -3.971   0.871   0.663  1.00  0.00           O  
HETATM    2  C1  UNL     1      -3.025   0.975  -0.088  1.00  0.00           C  
HETATM    3  C2  UNL     1      -2.016  -0.106  -0.203  1.00  0.00           C  
HETATM    4  O2  UNL     1      -2.298  -1.179   0.623  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.685   0.471   0.216  1.00  0.00           C  
HETATM    6  O3  UNL     1      -0.720   0.897   1.523  1.00  0.00           O  
HETATM    7  C4  UNL     1       0.452  -0.506  -0.001  1.00  0.00           C  
HETATM    8  O4  UNL     1       0.296  -1.607   0.811  1.00  0.00           O  
HETATM    9  C5  UNL     1       1.738   0.251   0.311  1.00  0.00           C  
HETATM   10  O5  UNL     1       1.795   1.344  -0.567  1.00  0.00           O  
HETATM   11  C6  UNL     1       2.929  -0.575   0.180  1.00  0.00           C  
HETATM   12  O6  UNL     1       3.072  -1.600   0.876  1.00  0.00           O  
HETATM   13  O7  UNL     1       3.917  -0.235  -0.718  1.00  0.00           O  
HETATM   14  H1  UNL     1      -2.922   1.868  -0.680  1.00  0.00           H  
HETATM   15  H2  UNL     1      -1.990  -0.465  -1.240  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.179  -1.031   1.090  1.00  0.00           H  
HETATM   17  H4  UNL     1      -0.450   1.367  -0.415  1.00  0.00           H  
HETATM   18  H5  UNL     1      -0.856   0.140   2.140  1.00  0.00           H  
HETATM   19  H6  UNL     1       0.437  -0.858  -1.051  1.00  0.00           H  
HETATM   20  H7  UNL     1       0.181  -2.466   0.293  1.00  0.00           H  
HETATM   21  H8  UNL     1       1.592   0.676   1.333  1.00  0.00           H  
HETATM   22  H9  UNL     1       1.643   1.020  -1.511  1.00  0.00           H  
HETATM   23  H10 UNL     1       4.061   0.749  -0.906  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3   14
CONECT    3    4    5   15
CONECT    4   16
CONECT    5    6    7   17
CONECT    6   18
CONECT    7    8    9   19
CONECT    8   20
CONECT    9   10   11   21
CONECT   10   22
CONECT   11   12   12   13
CONECT   13   23
END
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SMILES for HMDB0062783 (Aldehydo-L-iduronate)

OC(C=O)C(O)C(O)C(O)C(O)=O
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INCHI for HMDB0062783 (Aldehydo-L-iduronate)

InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
Aldehydo-L-iduronic acidGenerator
2,3,4,5-Tetrahydroxy-6-oxohexanoateHMDB
HexuronateHMDB
(D)-Galacturonic acidHMDB
Galacturonic acid, (alpha-D)-isomerHMDB
DL-Galacturonic acidHMDB
Galacturonic acid, (D)-isomerHMDB
Galacturonic acidHMDB
D-Galacturonic acidHMDB
Galacturonic acid, calcium, sodium salt, (D)-isomerHMDB
Galacturonic acid, monosodium salt, (D)-isomerHMDB
(DL)-Galacturonic acidHMDB
(2S,3S,4S,5R)-2,3,4,5-Tetrahydroxy-6-oxohexanoateGenerator
Acid, iduronicMeSH
IduronateMeSH
Iduronic acidMeSH
Chemical FormulaC6H10O7
Average Molecular Weight194.139
Monoisotopic Molecular Weight194.042652662
IUPAC Name2,3,4,5-tetrahydroxy-6-oxohexanoic acid
Traditional Nameglucuronic acid
CAS Registry NumberNot Available
SMILES
OC(C=O)C(O)C(O)C(O)C(O)=O
InChI Identifier
InChI=1S/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h1-5,8-11H,(H,12,13)
InChI KeyIAJILQKETJEXLJ-UHFFFAOYSA-N
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
  • Hexose monosaccharide
  • Medium-chain hydroxy acid
  • Medium-chain fatty acid
  • Beta-hydroxy acid
  • Hydroxy fatty acid
  • Monosaccharide
  • Fatty acyl
  • Hydroxy acid
  • Fatty acid
  • Alpha-hydroxy acid
  • Beta-hydroxy aldehyde
  • Alpha-hydroxyaldehyde
  • Secondary alcohol
  • Polyol
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Aldehyde
  • Carbonyl group
  • Alcohol
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
DispositionNot Available
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility265 g/lALOGPS
LogP-1.76ALOGPS
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
logP-2.3ALOGPS
logP-3.2ChemAxon
logS-0.29ALOGPS
pKa (Strongest Acidic)3.24ChemAxon
pKa (Strongest Basic)-3.7ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area135.29 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity37.21 m³·mol⁻¹ChemAxon
Polarizability16.21 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DeepCCS[M+H]+133.71930932474
DeepCCS[M-H]-129.89230932474
DeepCCS[M-2H]-167.34230932474
DeepCCS[M+Na]+142.88130932474
AllCCS[M+H]+143.332859911
AllCCS[M+H-H2O]+139.632859911
AllCCS[M+NH4]+146.832859911
AllCCS[M+Na]+147.832859911
AllCCS[M-H]-132.632859911
AllCCS[M+Na-2H]-133.732859911
AllCCS[M+HCOO]-134.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Aldehydo-L-iduronateOC(C=O)C(O)C(O)C(O)C(O)=O3678.2Standard polar33892256
Aldehydo-L-iduronateOC(C=O)C(O)C(O)C(O)C(O)=O1550.9Standard non polar33892256
Aldehydo-L-iduronateOC(C=O)C(O)C(O)C(O)C(O)=O1735.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Aldehydo-L-iduronate,1TMS,isomer #1C[Si](C)(C)OC(C=O)C(O)C(O)C(O)C(=O)O1848.4Semi standard non polar33892256
Aldehydo-L-iduronate,1TMS,isomer #2C[Si](C)(C)OC(C(O)C=O)C(O)C(O)C(=O)O1831.4Semi standard non polar33892256
Aldehydo-L-iduronate,1TMS,isomer #3C[Si](C)(C)OC(C(O)C(=O)O)C(O)C(O)C=O1795.0Semi standard non polar33892256
Aldehydo-L-iduronate,1TMS,isomer #4C[Si](C)(C)OC(C(=O)O)C(O)C(O)C(O)C=O1825.6Semi standard non polar33892256
Aldehydo-L-iduronate,1TMS,isomer #5C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(O)C=O1830.3Semi standard non polar33892256
Aldehydo-L-iduronate,1TMS,isomer #6C[Si](C)(C)OC=C(O)C(O)C(O)C(O)C(=O)O1932.9Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #1C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)C(O)C(=O)O1886.7Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #10C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(O)C(O)C=O1856.2Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #11C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(O)C=O1831.9Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #12C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(O)C(=O)O1914.9Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #13C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(O)C=O1871.3Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #14C[Si](C)(C)OC=C(O)C(O)C(O)C(O[Si](C)(C)C)C(=O)O1941.3Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #15C[Si](C)(C)OC=C(O)C(O)C(O)C(O)C(=O)O[Si](C)(C)C1890.7Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #2C[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C)C(O)C(=O)O1887.5Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #3C[Si](C)(C)OC(C=O)C(O)C(O)C(O[Si](C)(C)C)C(=O)O1934.5Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #4C[Si](C)(C)OC(=O)C(O)C(O)C(O)C(C=O)O[Si](C)(C)C1897.6Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O)C(=O)O1962.9Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #6C[Si](C)(C)OC(C(O)C=O)C(O[Si](C)(C)C)C(O)C(=O)O1867.2Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #7C[Si](C)(C)OC(C(=O)O)C(O)C(O[Si](C)(C)C)C(O)C=O1905.1Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #8C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(O)C=O1887.5Semi standard non polar33892256
Aldehydo-L-iduronate,2TMS,isomer #9C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(O)C(=O)O1944.9Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #1C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O1941.9Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #10C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O)C(=O)O[Si](C)(C)C1958.6Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #11C[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O1950.0Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #12C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O1916.2Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #13C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O1979.8Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #14C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C=O1956.1Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #15C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O1997.5Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #16C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(O)C(=O)O[Si](C)(C)C1964.0Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #17C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C=O1895.4Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #18C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O1964.3Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #19C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(O)C(=O)O[Si](C)(C)C1938.6Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #2C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O1973.6Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #20C[Si](C)(C)OC=C(O)C(O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1942.0Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #3C[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C1945.7Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #4C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(=O)O2020.4Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #5C[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O1969.7Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #6C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O)C(C=O)O[Si](C)(C)C1960.3Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #7C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(=O)O2015.8Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #8C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O)C(C=O)O[Si](C)(C)C1969.8Semi standard non polar33892256
Aldehydo-L-iduronate,3TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(=O)O2016.6Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #1C[Si](C)(C)OC(C=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O1970.0Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #10C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1965.1Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #11C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C=O1934.1Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #12C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2011.8Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #13C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O[Si](C)(C)C1973.3Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #14C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1998.7Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #15C[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1972.7Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #2C[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C1952.1Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #3C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O2013.3Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #4C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C1963.4Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O2025.1Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #6C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O)C(=O)O[Si](C)(C)C1963.8Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #7C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(C=O)O[Si](C)(C)C1976.3Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #8C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O2018.1Semi standard non polar33892256
Aldehydo-L-iduronate,4TMS,isomer #9C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O)C(=O)O[Si](C)(C)C1981.2Semi standard non polar33892256
Aldehydo-L-iduronate,5TMS,isomer #1C[Si](C)(C)OC(=O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(C=O)O[Si](C)(C)C1916.4Semi standard non polar33892256
Aldehydo-L-iduronate,5TMS,isomer #2C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O1987.2Semi standard non polar33892256
Aldehydo-L-iduronate,5TMS,isomer #3C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(=O)O[Si](C)(C)C1962.8Semi standard non polar33892256
Aldehydo-L-iduronate,5TMS,isomer #4C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1981.8Semi standard non polar33892256
Aldehydo-L-iduronate,5TMS,isomer #5C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1966.0Semi standard non polar33892256
Aldehydo-L-iduronate,5TMS,isomer #6C[Si](C)(C)OC=C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1979.1Semi standard non polar33892256
Aldehydo-L-iduronate,6TMS,isomer #1C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1974.8Semi standard non polar33892256
Aldehydo-L-iduronate,6TMS,isomer #1C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C2023.0Standard non polar33892256
Aldehydo-L-iduronate,6TMS,isomer #1C[Si](C)(C)OC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C2038.8Standard polar33892256
Aldehydo-L-iduronate,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O)C(O)C(=O)O2132.0Semi standard non polar33892256
Aldehydo-L-iduronate,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(C(O)C=O)C(O)C(O)C(=O)O2105.8Semi standard non polar33892256
Aldehydo-L-iduronate,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(C(O)C(=O)O)C(O)C(O)C=O2062.8Semi standard non polar33892256
Aldehydo-L-iduronate,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)C(O)C(O)C=O2093.4Semi standard non polar33892256
Aldehydo-L-iduronate,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(O)C=O2089.3Semi standard non polar33892256
Aldehydo-L-iduronate,1TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(O)C(=O)O2154.4Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O2371.8Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O2309.4Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O2294.4Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2399.9Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C=O2327.3Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2403.1Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(O)C(=O)O[Si](C)(C)C(C)(C)C2373.1Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2367.1Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2414.5Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O)C(C=O)O[Si](C)(C)C(C)(C)C2380.5Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C(=O)O2421.9Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(C(O)C=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2329.6Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O2363.0Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O2351.2Semi standard non polar33892256
Aldehydo-L-iduronate,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O2429.2Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2572.3Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O)C(=O)O[Si](C)(C)C(C)(C)C2606.8Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(C(=O)O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O2551.2Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O2546.9Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2598.5Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C=O2564.2Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2623.9Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #16CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O[Si](C)(C)C(C)(C)C2605.3Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #17CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C=O2505.8Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #18CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O2580.0Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #19CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)C2584.1Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2602.8Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #20CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2568.5Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C2581.2Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O2600.9Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC(C=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O2581.9Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(C=O)O[Si](C)(C)C(C)(C)C2585.0Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2623.7Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(C=O)O[Si](C)(C)C(C)(C)C2605.5Semi standard non polar33892256
Aldehydo-L-iduronate,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2630.9Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(C=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O2784.7Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2818.5Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #11CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C=O2748.5Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #12CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O2801.1Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #13CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)C2805.3Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #14CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2825.9Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #15CC(C)(C)[Si](C)(C)OC=C(O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2786.7Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC(=O)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C2790.2Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O2795.9Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C2798.2Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O2835.5Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O)C(=O)O[Si](C)(C)C(C)(C)C2817.3Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(C=O)O[Si](C)(C)C(C)(C)C2804.9Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O2826.8Semi standard non polar33892256
Aldehydo-L-iduronate,4TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)C2831.4Semi standard non polar33892256
Aldehydo-L-iduronate,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC(=O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(C=O)O[Si](C)(C)C(C)(C)C2946.3Semi standard non polar33892256
Aldehydo-L-iduronate,5TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O2981.5Semi standard non polar33892256
Aldehydo-L-iduronate,5TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(=O)O[Si](C)(C)C(C)(C)C2982.5Semi standard non polar33892256
Aldehydo-L-iduronate,5TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2993.0Semi standard non polar33892256
Aldehydo-L-iduronate,5TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2985.4Semi standard non polar33892256
Aldehydo-L-iduronate,5TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC=C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2961.0Semi standard non polar33892256
Aldehydo-L-iduronate,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3145.1Semi standard non polar33892256
Aldehydo-L-iduronate,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C3054.2Standard non polar33892256
Aldehydo-L-iduronate,6TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C2683.5Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (Non-derivatized) - 70eV, Positivesplash10-000i-9700000000-cdaf9f94e02e4e7ba7d22021-09-23Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_1_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_1_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_2_8) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_2_12) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_2_14) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_2_15) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_3_8) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_3_10) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aldehydo-L-iduronate GC-MS (TMS_3_11) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 10V, Positive-QTOFsplash10-004j-2900000000-d10a25d7be0e894c08bf2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 20V, Positive-QTOFsplash10-0a4i-9400000000-622d3f59531d8131fcff2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 40V, Positive-QTOFsplash10-0a4i-9000000000-b4283ddfeb9caab76a8c2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 10V, Negative-QTOFsplash10-05n0-9600000000-fbfa1ca53f3a89f1a8c32019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 20V, Negative-QTOFsplash10-052r-9200000000-d693412c9c960ee413022019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 40V, Negative-QTOFsplash10-0a4i-9000000000-4f395894cf1c95c30a632019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 10V, Positive-QTOFsplash10-01y5-7900000000-df218a4e340a0ff668c12021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 20V, Positive-QTOFsplash10-03kl-9100000000-d22d4d2644d77203331d2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 40V, Positive-QTOFsplash10-08fu-9000000000-93301767b758d212114f2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 10V, Negative-QTOFsplash10-00fr-9300000000-77aa1619935fe785e3972021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 20V, Negative-QTOFsplash10-0a6r-9000000000-da4be7e32a829503c0212021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aldehydo-L-iduronate 40V, Negative-QTOFsplash10-0a6r-9000000000-c1c9308cd925f43d015f2021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID134737
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound152867
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available