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Showing metabocard for D-Fucose (HMDB0029196)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-08 14:59:26 UTC
Update Date2023-02-21 17:18:40 UTC
HMDB IDHMDB0029196
Secondary Accession Numbers
  • HMDB29196
Metabolite Identification
Common NameD-Fucose
DescriptionD-Fucose, also known as alpha-D-fuc or α-D-fucp, belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity. Based on a literature review a significant number of articles have been published on D-Fucose.
Structure
Data?1676999920
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0029196 (D-Fucose)


  Mrv0541 02231216582D          

 11 11  0  0  1  0            999 V2000
   -0.8282    1.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1137    0.8586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5933    1.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152    0.8587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0297    1.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152    0.0337    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0297   -0.3789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6007   -0.3788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6007   -1.2039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1137    0.0337    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8282   -0.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
M  END
Download

3D MOL for HMDB0029196 (D-Fucose)

HMDB0029196
     RDKit          3D
D-Fucose
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.5195   -0.1270    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045   -0.3084   -0.1161 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5091   -1.3108    0.5265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516   -1.5318   -0.0201 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5551   -1.7276   -1.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5544   -0.2588    0.2267 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8998   -0.4278    0.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.8078   -0.6489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6993    1.9457   -0.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4880    1.0045   -0.1624 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4438    1.5140    1.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142   -0.6659    0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   -0.6419    1.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7530    0.9272    0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4242   -0.6176   -1.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2035   -2.4166    0.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1087   -2.4778   -1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3691    0.0034    1.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2441   -0.9765    0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9100    0.4030   -1.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928    2.7881   -0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0043    1.6680   -0.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640    2.4266    1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  6
  4 16  1  1
  5 17  1  0
  6 18  1  1
  7 19  1  0
  8 20  1  6
  9 21  1  0
 10 22  1  6
 11 23  1  0
M  END
Download

3D SDF for HMDB0029196 (D-Fucose)


  Mrv0541 02231216582D          

 11 11  0  0  1  0            999 V2000
   -0.8282    1.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1137    0.8586    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5933    1.2841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152    0.8587    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0297    1.2712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152    0.0337    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0297   -0.3789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6007   -0.3788    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.6007   -1.2039    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1137    0.0337    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.8282   -0.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  6  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  1  1  0  0  0
M  END
> <DATABASE_ID>
HMDB0029196

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1

> <INCHI_KEY>
SHZGCJCMOBCMKK-PHYPRBDBSA-N

> <FORMULA>
C6H12O5

> <MOLECULAR_WEIGHT>
164.1565

> <EXACT_MASS>
164.068473494

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
15.180936111756234

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol

> <ALOGPS_LOGP>
-2.39

> <JCHEM_LOGP>
-1.885629251333333

> <ALOGPS_LOGS>
0.70

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.724419195509512

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.30218058050956

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6121738272477764

> <JCHEM_POLAR_SURFACE_AREA>
90.15

> <JCHEM_REFRACTIVITY>
34.3797

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.27e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α-d-fucose

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0029196 (D-Fucose)

HMDB0029196
     RDKit          3D
D-Fucose
 23 23  0  0  0  0  0  0  0  0999 V2000
    2.5195   -0.1270    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2045   -0.3084   -0.1161 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5091   -1.3108    0.5265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7516   -1.5318   -0.0201 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5551   -1.7276   -1.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5544   -0.2588    0.2267 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8998   -0.4278    0.0274 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9448    0.8078   -0.6489 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6993    1.9457   -0.5333 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4880    1.0045   -0.1624 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4438    1.5140    1.1336 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142   -0.6659    0.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   -0.6419    1.6300 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7530    0.9272    0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4242   -0.6176   -1.1679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2035   -2.4166    0.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1087   -2.4778   -1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3691    0.0034    1.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2441   -0.9765    0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9100    0.4030   -1.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1928    2.7881   -0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0043    1.6680   -0.8722 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640    2.4266    1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10  2  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  6
  4 16  1  1
  5 17  1  0
  6 18  1  1
  7 19  1  0
  8 20  1  6
  9 21  1  0
 10 22  1  6
 11 23  1  0
M  END
Download

PDB for HMDB0029196 (D-Fucose)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      -1.546   2.373   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.212   1.603   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       1.107   2.397   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       2.455   1.603   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       3.789   2.373   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.455   0.063   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       3.789  -0.707   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.121  -0.707   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       1.121  -2.247   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.212   0.063   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -1.546  -0.707   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8    2   11                                                  
CONECT   11   10                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0029196 (D-Fucose)

COMPND    HMDB0029196
HETATM    1  C1  UNL     1       2.519  -0.127   0.635  1.00  0.00           C  
HETATM    2  C2  UNL     1       1.204  -0.308  -0.116  1.00  0.00           C  
HETATM    3  O1  UNL     1       0.509  -1.311   0.527  1.00  0.00           O  
HETATM    4  C3  UNL     1      -0.752  -1.532  -0.020  1.00  0.00           C  
HETATM    5  O2  UNL     1      -0.555  -1.728  -1.399  1.00  0.00           O  
HETATM    6  C4  UNL     1      -1.554  -0.259   0.227  1.00  0.00           C  
HETATM    7  O3  UNL     1      -2.900  -0.428   0.027  1.00  0.00           O  
HETATM    8  C5  UNL     1      -0.945   0.808  -0.649  1.00  0.00           C  
HETATM    9  O4  UNL     1      -1.699   1.946  -0.533  1.00  0.00           O  
HETATM   10  C6  UNL     1       0.488   1.004  -0.162  1.00  0.00           C  
HETATM   11  O5  UNL     1       0.444   1.514   1.134  1.00  0.00           O  
HETATM   12  H1  UNL     1       3.314  -0.666   0.061  1.00  0.00           H  
HETATM   13  H2  UNL     1       2.491  -0.642   1.630  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.753   0.927   0.820  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.424  -0.618  -1.168  1.00  0.00           H  
HETATM   16  H5  UNL     1      -1.204  -2.417   0.422  1.00  0.00           H  
HETATM   17  H6  UNL     1       0.109  -2.478  -1.457  1.00  0.00           H  
HETATM   18  H7  UNL     1      -1.369   0.003   1.300  1.00  0.00           H  
HETATM   19  H8  UNL     1      -3.244  -0.977   0.791  1.00  0.00           H  
HETATM   20  H9  UNL     1      -0.910   0.403  -1.693  1.00  0.00           H  
HETATM   21  H10 UNL     1      -1.193   2.788  -0.582  1.00  0.00           H  
HETATM   22  H11 UNL     1       1.004   1.668  -0.872  1.00  0.00           H  
HETATM   23  H12 UNL     1       0.064   2.427   1.079  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3   10   15
CONECT    3    4
CONECT    4    5    6   16
CONECT    5   17
CONECT    6    7    8   18
CONECT    7   19
CONECT    8    9   10   20
CONECT    9   21
CONECT   10   11   22
CONECT   11   23
END
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SMILES for HMDB0029196 (D-Fucose)

C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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INCHI for HMDB0029196 (D-Fucose)

InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
alpha-D-FucChEBI
alpha-D-FucpChEBI
WURCS=2.0/1,1,0/[a2112m-1a_1-5]/1/ChEBI
a-D-FucGenerator
Α-D-fucGenerator
a-D-FucpGenerator
Α-D-fucpGenerator
6-Deoxy-D-galactopyranoseHMDB
6-Deoxy-D-galactoseHMDB
D-FucopyranoseHMDB
a-D-FucoseHMDB
Α-D-fucoseHMDB
6-Deoxy-alpha-D-galactopyranoseHMDB
6-Deoxy-alpha-D-galactoseHMDB
6-Deoxy-α-D-galactopyranoseHMDB
6-Deoxy-α-D-galactoseHMDB
alpha-D-FucopyranoseHMDB
alpha-D-FucoseHMDB
Α-D-fucopyranoseHMDB
Chemical FormulaC6H12O5
Average Molecular Weight164.1565
Monoisotopic Molecular Weight164.068473494
IUPAC Name(2S,3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol
Traditional Nameα-d-fucose
CAS Registry Number6189-71-5
SMILES
C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChI Identifier
InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m1/s1
InChI KeySHZGCJCMOBCMKK-PHYPRBDBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hexoses. These are monosaccharides in which the sugar unit is a is a six-carbon containing moeity.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbohydrates and carbohydrate conjugates
Direct ParentHexoses
Alternative Parents
Substituents
  • Hexose monosaccharide
  • Oxane
  • Secondary alcohol
  • Hemiacetal
  • Oxacycle
  • Organoheterocyclic compound
  • Polyol
  • Hydrocarbon derivative
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility827 g/LALOGPS
logP-2.4ALOGPS
logP-1.9ChemAxon
logS0.7ALOGPS
pKa (Strongest Acidic)11.3ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area90.15 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity34.38 m³·mol⁻¹ChemAxon
Polarizability15.18 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+137.77931661259
DarkChem[M-H]-133.23731661259
DeepCCS[M+H]+139.01130932474
DeepCCS[M-H]-136.67130932474
DeepCCS[M-2H]-171.18130932474
DeepCCS[M+Na]+145.44130932474
AllCCS[M+H]+138.032859911
AllCCS[M+H-H2O]+133.632859911
AllCCS[M+NH4]+142.232859911
AllCCS[M+Na]+143.332859911
AllCCS[M-H]-129.532859911
AllCCS[M+Na-2H]-130.832859911
AllCCS[M+HCOO]-132.432859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
D-FucoseC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O3109.0Standard polar33892256
D-FucoseC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O1503.5Standard non polar33892256
D-FucoseC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O1434.7Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
D-Fucose,1TMS,isomer #1C[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O1458.1Semi standard non polar33892256
D-Fucose,1TMS,isomer #2C[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O1468.2Semi standard non polar33892256
D-Fucose,1TMS,isomer #3C[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O1481.0Semi standard non polar33892256
D-Fucose,1TMS,isomer #4C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C1496.0Semi standard non polar33892256
D-Fucose,2TMS,isomer #1C[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O1495.4Semi standard non polar33892256
D-Fucose,2TMS,isomer #2C[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O1529.5Semi standard non polar33892256
D-Fucose,2TMS,isomer #3C[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C1514.2Semi standard non polar33892256
D-Fucose,2TMS,isomer #4C[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O1523.2Semi standard non polar33892256
D-Fucose,2TMS,isomer #5C[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C1544.2Semi standard non polar33892256
D-Fucose,2TMS,isomer #6C[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1504.2Semi standard non polar33892256
D-Fucose,3TMS,isomer #1C[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O1572.7Semi standard non polar33892256
D-Fucose,3TMS,isomer #2C[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C1582.5Semi standard non polar33892256
D-Fucose,3TMS,isomer #3C[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1589.1Semi standard non polar33892256
D-Fucose,3TMS,isomer #4C[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1581.2Semi standard non polar33892256
D-Fucose,4TMS,isomer #1C[C@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C1681.3Semi standard non polar33892256
D-Fucose,1TBDMS,isomer #1C[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O1720.3Semi standard non polar33892256
D-Fucose,1TBDMS,isomer #2C[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O1741.2Semi standard non polar33892256
D-Fucose,1TBDMS,isomer #3C[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O1741.1Semi standard non polar33892256
D-Fucose,1TBDMS,isomer #4C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C1757.7Semi standard non polar33892256
D-Fucose,2TBDMS,isomer #1C[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O1987.4Semi standard non polar33892256
D-Fucose,2TBDMS,isomer #2C[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2014.5Semi standard non polar33892256
D-Fucose,2TBDMS,isomer #3C[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2016.9Semi standard non polar33892256
D-Fucose,2TBDMS,isomer #4C[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2008.0Semi standard non polar33892256
D-Fucose,2TBDMS,isomer #5C[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2029.2Semi standard non polar33892256
D-Fucose,2TBDMS,isomer #6C[C@H]1O[C@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2003.6Semi standard non polar33892256
D-Fucose,3TBDMS,isomer #1C[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O2255.5Semi standard non polar33892256
D-Fucose,3TBDMS,isomer #2C[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C2271.2Semi standard non polar33892256
D-Fucose,3TBDMS,isomer #3C[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2269.8Semi standard non polar33892256
D-Fucose,3TBDMS,isomer #4C[C@H]1O[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2274.9Semi standard non polar33892256
D-Fucose,4TBDMS,isomer #1C[C@H]1O[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C2479.4Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - D-Fucose GC-MS (Non-derivatized) - 70eV, Positivesplash10-0a71-9300000000-58709e6800d01fa794ab2017-08-28Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Fucose GC-MS (4 TMS) - 70eV, Positivesplash10-002r-9346400000-7524daf3b04caf0c441a2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - D-Fucose GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 10V, Positive-QTOFsplash10-014i-1900000000-04506e2fa3c1371dff282017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 20V, Positive-QTOFsplash10-00kb-2900000000-1d1ccb65a0c5c37cc4ec2017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 40V, Positive-QTOFsplash10-0a4r-9000000000-e8a063be68714f958e832017-07-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 10V, Negative-QTOFsplash10-03di-4900000000-f7a6ce4690afa04fd7a92017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 20V, Negative-QTOFsplash10-03dj-7900000000-2c2df196269f093c8ec12017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 40V, Negative-QTOFsplash10-0a4l-9000000000-bccf2eed4e06ffb85d572017-07-26Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 10V, Negative-QTOFsplash10-03di-2900000000-39b12ef61b5dc955b65a2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 20V, Negative-QTOFsplash10-052f-9200000000-b035b501120515e5ba702021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 40V, Negative-QTOFsplash10-0a4i-9000000000-b4e3f8e66eccd71547b02021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 10V, Positive-QTOFsplash10-016s-0900000000-1b35b25727b8097815572021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 20V, Positive-QTOFsplash10-0002-9400000000-d296c72cacbcd6d61db12021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - D-Fucose 40V, Positive-QTOFsplash10-0a4j-9000000000-daa4eb13673f38090d732021-09-23Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 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, 800 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-25Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Feces
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB03485
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDC00001118
Chemspider ID392189
KEGG Compound IDC01018
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkFucose
METLIN IDNot Available
PubChem Compound444200
PDB IDNot Available
ChEBI ID42564
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 References
  1. Chang TW, Gorbach SL, Bartlett JG: Inhibition of binding of Clostridium difficile toxin by steroids. J Infect Dis. 1980 Jul;142(1):113. [PubMed:6772711 ]
  2. Neethling FA, Koren E, Ye Y, Richards SV, Kujundzic M, Oriol R, Cooper DK: Protection of pig kidney (PK15) cells from the cytotoxic effect of anti-pig antibodies by alpha-galactosyl oligosaccharides. Transplantation. 1994 Mar 27;57(6):959-63. [PubMed:8154046 ]