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Showing metabocard for 1-Deoxynojirimycin (HMDB0035359)

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enzymes (1) Show 1 protein
Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2012-09-11 20:20:05 UTC
Update Date2022-09-22 18:34:26 UTC
HMDB IDHMDB0035359
Secondary Accession Numbers
  • HMDB35359
Metabolite Identification
Common Name1-Deoxynojirimycin
Description1-Deoxynojirimycin belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms. 1-Deoxynojirimycin has been detected, but not quantified in, fruits. This could make 1-deoxynojirimycin a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1-Deoxynojirimycin.
Structure
Data?1563862707
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0035359 (1-Deoxynojirimycin)


  Mrv0541 05061308242D          

 11 11  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
Download

3D MOL for HMDB0035359 (1-Deoxynojirimycin)

HMDB0251008
     RDKit          3D
1-Deoxymannojirimycin
 24 24  0  0  0  0  0  0  0  0999 V2000
    3.2900   -0.8802   -0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    0.1052   -0.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007   -0.0339    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4925   -1.3286   -0.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825   -1.5349    0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6092   -0.3783    0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514   -0.4275   -0.2722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9936    0.9682    0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9823    1.9190    0.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    0.9813   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888    0.4599   -1.6233 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6137   -0.6727    0.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3847    0.0964   -1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8741    1.0778   -0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653    0.0614    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -1.4156   -1.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2424   -2.3912    0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3881   -1.9132    1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1189   -0.4529    1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4742   -1.0833   -0.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5028    1.2940    1.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0027    2.6516    0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    1.9622   -0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074    0.9353   -1.8762 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
  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  3  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
M  END
Download

3D SDF for HMDB0035359 (1-Deoxynojirimycin)


  Mrv0541 05061308242D          

 11 11  0  0  0  0            999 V2000
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  7  3  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
 10  5  1  0  0  0  0
 11  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035359

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC1NCC(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2

> <INCHI_KEY>
LXBIFEVIBLOUGU-UHFFFAOYSA-N

> <FORMULA>
C6H13NO4

> <MOLECULAR_WEIGHT>
163.1717

> <EXACT_MASS>
163.084457909

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
15.849220843979085

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(hydroxymethyl)piperidine-3,4,5-triol

> <ALOGPS_LOGP>
-2.22

> <JCHEM_LOGP>
-2.885743183

> <ALOGPS_LOGS>
0.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.040882857401087

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.906053630987142

> <JCHEM_PKA_STRONGEST_BASIC>
8.062727249499266

> <JCHEM_POLAR_SURFACE_AREA>
92.95

> <JCHEM_REFRACTIVITY>
36.5744

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.11e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1 deoxynojirimycin

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0035359 (1-Deoxynojirimycin)

HMDB0251008
     RDKit          3D
1-Deoxymannojirimycin
 24 24  0  0  0  0  0  0  0  0999 V2000
    3.2900   -0.8802   -0.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4323    0.1052   -0.6237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1007   -0.0339    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4925   -1.3286   -0.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825   -1.5349    0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6092   -0.3783    0.6778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6514   -0.4275   -0.2722 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9936    0.9682    0.6020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9823    1.9190    0.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0931    0.9813   -0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4888    0.4599   -1.6233 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6137   -0.6727    0.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3847    0.0964   -1.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8741    1.0778   -0.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2653    0.0614    1.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3586   -1.4156   -1.2313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2424   -2.3912    0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3881   -1.9132    1.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1189   -0.4529    1.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4742   -1.0833   -0.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5028    1.2940    1.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0027    2.6516    0.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5393    1.9622   -0.6135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3074    0.9353   -1.8762 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
  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  3  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
  8 21  1  0
  9 22  1  0
 10 23  1  0
 11 24  1  0
M  END
Download

PDB for HMDB0035359 (1-Deoxynojirimycin)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   2.310   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  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0       2.667   0.000   0.000  0.00  0.00           N+0
HETATM    8  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1    4    7                                                       
CONECT    2    3    8                                                       
CONECT    3    2    5    7                                                  
CONECT    4    1    6    9                                                  
CONECT    5    3    6   10                                                  
CONECT    6    4    5   11                                                  
CONECT    7    1    3                                                       
CONECT    8    2                                                            
CONECT    9    4                                                            
CONECT   10    5                                                            
CONECT   11    6                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   22    0
END
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3D PDB for HMDB0035359 (1-Deoxynojirimycin)

COMPND    HMDB0249990
HETATM    1  O1  UNL     1       3.262  -0.310   0.462  1.00  0.00           O  
HETATM    2  C1  UNL     1       2.235   0.496   0.004  1.00  0.00           C  
HETATM    3  C2  UNL     1       0.918   0.114   0.704  1.00  0.00           C  
HETATM    4  N1  UNL     1       0.675  -1.236   0.385  1.00  0.00           N  
HETATM    5  C3  UNL     1      -0.433  -1.544  -0.419  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.663  -0.859   0.128  1.00  0.00           C  
HETATM    7  O2  UNL     1      -2.770  -1.248  -0.609  1.00  0.00           O  
HETATM    8  C5  UNL     1      -1.498   0.625   0.164  1.00  0.00           C  
HETATM    9  O3  UNL     1      -2.003   1.121  -1.062  1.00  0.00           O  
HETATM   10  C6  UNL     1      -0.124   1.105   0.421  1.00  0.00           C  
HETATM   11  O4  UNL     1       0.289   1.883  -0.686  1.00  0.00           O  
HETATM   12  H1  UNL     1       3.828   0.166   1.122  1.00  0.00           H  
HETATM   13  H2  UNL     1       2.396   1.571   0.189  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.036   0.356  -1.076  1.00  0.00           H  
HETATM   15  H4  UNL     1       1.200   0.153   1.797  1.00  0.00           H  
HETATM   16  H5  UNL     1       0.947  -1.935   1.100  1.00  0.00           H  
HETATM   17  H6  UNL     1      -0.285  -1.314  -1.513  1.00  0.00           H  
HETATM   18  H7  UNL     1      -0.625  -2.639  -0.368  1.00  0.00           H  
HETATM   19  H8  UNL     1      -1.804  -1.234   1.161  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.466  -1.683  -1.452  1.00  0.00           H  
HETATM   21  H10 UNL     1      -2.242   1.011   0.925  1.00  0.00           H  
HETATM   22  H11 UNL     1      -1.795   2.095  -1.106  1.00  0.00           H  
HETATM   23  H12 UNL     1      -0.179   1.855   1.267  1.00  0.00           H  
HETATM   24  H13 UNL     1       0.102   1.452  -1.536  1.00  0.00           H  
CONECT    1    2   12
CONECT    2    3   13   14
CONECT    3    4   10   15
CONECT    4    5   16
CONECT    5    6   17   18
CONECT    6    7    8   19
CONECT    7   20
CONECT    8    9   10   21
CONECT    9   22
CONECT   10   11   23
CONECT   11   24
END
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SMILES for HMDB0035359 (1-Deoxynojirimycin)

OCC1NCC(O)C(O)C1O
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INCHI for HMDB0035359 (1-Deoxynojirimycin)

InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
(2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-triolHMDB
1,5-Dideoxy-1,5-imino-D-glucitol, 9ciHMDB
1-DEOXY-nojirimycinHMDB, MeSH
1-DeoxymannojirimycinHMDB
1-Deoxynojirimycin (DNJ)HMDB
1HXKHMDB
1OimHMDB
Antibiotic S-giHMDB
MoranolineHMDB
NOJHMDB
S-GIHMDB
1,5-Dideoxy-1,5-imino-D-mannitolMeSH
1-Deoxynojirimycin hydrochlorideMeSH
1 DeoxynojirimycinMeSH
1,5-Deoxy-1,5-imino-D-mannitolMeSH
Bay N 5595MeSH
1 DeoxymannojirimycinMeSH
1-DeoxynojirimycinMeSH
1 Deoxynojirimycin hydrochlorideMeSH
Chemical FormulaC6H13NO4
Average Molecular Weight163.1717
Monoisotopic Molecular Weight163.084457909
IUPAC Name2-(hydroxymethyl)piperidine-3,4,5-triol
Traditional Name1 deoxynojirimycin
CAS Registry Number19130-96-2
SMILES
OCC1NCC(O)C(O)C1O
InChI Identifier
InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
InChI KeyLXBIFEVIBLOUGU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as piperidines. Piperidines are compounds containing a piperidine ring, which is a saturated aliphatic six-member ring with one nitrogen atom and five carbon atoms.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPiperidines
Sub ClassNot Available
Direct ParentPiperidines
Alternative Parents
Substituents
  • Piperidine
  • 1,2-aminoalcohol
  • Secondary alcohol
  • Secondary aliphatic amine
  • Polyol
  • Secondary amine
  • Azacycle
  • Primary alcohol
  • Alcohol
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organopnictogen compound
  • Amine
  • Hydrocarbon derivative
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationRoute of exposureSource
ProcessNot Available
Role
Industrial applicationBiological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point206 °CNot Available
Boiling Point361.12 °C. @ 760.00 mm Hg (est)The Good Scents Company Information System
Water Solubility1000000 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP-1.80Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility511 g/LALOGPS
logP-2.2ALOGPS
logP-2.9ChemAxon
logS0.5ALOGPS
pKa (Strongest Acidic)12.91ChemAxon
pKa (Strongest Basic)8.06ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area92.95 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity36.57 m³·mol⁻¹ChemAxon
Polarizability15.85 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]+135.46831661259
DarkChem[M-H]-129.64331661259
DeepCCS[M+H]+136.8230932474
DeepCCS[M-H]-134.08930932474
DeepCCS[M-2H]-170.8830932474
DeepCCS[M+Na]+145.9530932474
AllCCS[M+H]+137.432859911
AllCCS[M+H-H2O]+133.032859911
AllCCS[M+NH4]+141.532859911
AllCCS[M+Na]+142.732859911
AllCCS[M-H]-130.332859911
AllCCS[M+Na-2H]-131.632859911
AllCCS[M+HCOO]-133.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1-DeoxynojirimycinOCC1NCC(O)C(O)C1O3545.5Standard polar33892256
1-DeoxynojirimycinOCC1NCC(O)C(O)C1O1734.7Standard non polar33892256
1-DeoxynojirimycinOCC1NCC(O)C(O)C1O1651.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
1-Deoxynojirimycin,1TMS,isomer #1C[Si](C)(C)OCC1NCC(O)C(O)C1O1786.1Semi standard non polar33892256
1-Deoxynojirimycin,1TMS,isomer #2C[Si](C)(C)OC1CNC(CO)C(O)C1O1789.1Semi standard non polar33892256
1-Deoxynojirimycin,1TMS,isomer #3C[Si](C)(C)OC1C(O)CNC(CO)C1O1806.8Semi standard non polar33892256
1-Deoxynojirimycin,1TMS,isomer #4C[Si](C)(C)OC1C(CO)NCC(O)C1O1785.3Semi standard non polar33892256
1-Deoxynojirimycin,1TMS,isomer #5C[Si](C)(C)N1CC(O)C(O)C(O)C1CO1748.8Semi standard non polar33892256
1-Deoxynojirimycin,2TMS,isomer #1C[Si](C)(C)OCC1NCC(O[Si](C)(C)C)C(O)C1O1808.3Semi standard non polar33892256
1-Deoxynojirimycin,2TMS,isomer #10C[Si](C)(C)OC1C(O)C(O)CN([Si](C)(C)C)C1CO1794.0Semi standard non polar33892256
1-Deoxynojirimycin,2TMS,isomer #2C[Si](C)(C)OCC1NCC(O)C(O[Si](C)(C)C)C1O1798.3Semi standard non polar33892256
1-Deoxynojirimycin,2TMS,isomer #3C[Si](C)(C)OCC1NCC(O)C(O)C1O[Si](C)(C)C1804.4Semi standard non polar33892256
1-Deoxynojirimycin,2TMS,isomer #4C[Si](C)(C)OCC1C(O)C(O)C(O)CN1[Si](C)(C)C1830.1Semi standard non polar33892256
1-Deoxynojirimycin,2TMS,isomer #5C[Si](C)(C)OC1CNC(CO)C(O[Si](C)(C)C)C1O1772.2Semi standard non polar33892256
1-Deoxynojirimycin,2TMS,isomer #6C[Si](C)(C)OC1CNC(CO)C(O)C1O[Si](C)(C)C1817.0Semi standard non polar33892256
1-Deoxynojirimycin,2TMS,isomer #7C[Si](C)(C)OC1CN([Si](C)(C)C)C(CO)C(O)C1O1789.7Semi standard non polar33892256
1-Deoxynojirimycin,2TMS,isomer #8C[Si](C)(C)OC1C(O)CNC(CO)C1O[Si](C)(C)C1783.2Semi standard non polar33892256
1-Deoxynojirimycin,2TMS,isomer #9C[Si](C)(C)OC1C(O)CN([Si](C)(C)C)C(CO)C1O1783.6Semi standard non polar33892256
1-Deoxynojirimycin,3TMS,isomer #1C[Si](C)(C)OCC1NCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O1800.6Semi standard non polar33892256
1-Deoxynojirimycin,3TMS,isomer #10C[Si](C)(C)OC1C(O)CN([Si](C)(C)C)C(CO)C1O[Si](C)(C)C1826.3Semi standard non polar33892256
1-Deoxynojirimycin,3TMS,isomer #2C[Si](C)(C)OCC1NCC(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C1791.8Semi standard non polar33892256
1-Deoxynojirimycin,3TMS,isomer #3C[Si](C)(C)OCC1C(O)C(O)C(O[Si](C)(C)C)CN1[Si](C)(C)C1848.0Semi standard non polar33892256
1-Deoxynojirimycin,3TMS,isomer #4C[Si](C)(C)OCC1NCC(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C1793.1Semi standard non polar33892256
1-Deoxynojirimycin,3TMS,isomer #5C[Si](C)(C)OCC1C(O)C(O[Si](C)(C)C)C(O)CN1[Si](C)(C)C1851.6Semi standard non polar33892256
1-Deoxynojirimycin,3TMS,isomer #6C[Si](C)(C)OCC1C(O[Si](C)(C)C)C(O)C(O)CN1[Si](C)(C)C1853.2Semi standard non polar33892256
1-Deoxynojirimycin,3TMS,isomer #7C[Si](C)(C)OC1CNC(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C1766.5Semi standard non polar33892256
1-Deoxynojirimycin,3TMS,isomer #8C[Si](C)(C)OC1CN([Si](C)(C)C)C(CO)C(O[Si](C)(C)C)C1O1809.7Semi standard non polar33892256
1-Deoxynojirimycin,3TMS,isomer #9C[Si](C)(C)OC1CN([Si](C)(C)C)C(CO)C(O)C1O[Si](C)(C)C1828.0Semi standard non polar33892256
1-Deoxynojirimycin,4TMS,isomer #1C[Si](C)(C)OCC1NCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C1825.0Semi standard non polar33892256
1-Deoxynojirimycin,4TMS,isomer #2C[Si](C)(C)OCC1C(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)CN1[Si](C)(C)C1855.0Semi standard non polar33892256
1-Deoxynojirimycin,4TMS,isomer #3C[Si](C)(C)OCC1C(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)CN1[Si](C)(C)C1858.5Semi standard non polar33892256
1-Deoxynojirimycin,4TMS,isomer #4C[Si](C)(C)OCC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)CN1[Si](C)(C)C1864.4Semi standard non polar33892256
1-Deoxynojirimycin,4TMS,isomer #5C[Si](C)(C)OC1CN([Si](C)(C)C)C(CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C1856.7Semi standard non polar33892256
1-Deoxynojirimycin,5TMS,isomer #1C[Si](C)(C)OCC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)CN1[Si](C)(C)C1926.0Semi standard non polar33892256
1-Deoxynojirimycin,5TMS,isomer #1C[Si](C)(C)OCC1C(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)CN1[Si](C)(C)C1926.7Standard non polar33892256
1-Deoxynojirimycin,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1NCC(O)C(O)C1O2023.2Semi standard non polar33892256
1-Deoxynojirimycin,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC1CNC(CO)C(O)C1O2025.0Semi standard non polar33892256
1-Deoxynojirimycin,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC1C(O)CNC(CO)C1O2041.3Semi standard non polar33892256
1-Deoxynojirimycin,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC1C(CO)NCC(O)C1O2019.3Semi standard non polar33892256
1-Deoxynojirimycin,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1CC(O)C(O)C(O)C1CO2012.6Semi standard non polar33892256
1-Deoxynojirimycin,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1NCC(O[Si](C)(C)C(C)(C)C)C(O)C1O2252.7Semi standard non polar33892256
1-Deoxynojirimycin,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1C(O)C(O)CN([Si](C)(C)C(C)(C)C)C1CO2237.4Semi standard non polar33892256
1-Deoxynojirimycin,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1NCC(O)C(O[Si](C)(C)C(C)(C)C)C1O2219.7Semi standard non polar33892256
1-Deoxynojirimycin,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1NCC(O)C(O)C1O[Si](C)(C)C(C)(C)C2249.4Semi standard non polar33892256
1-Deoxynojirimycin,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1C(O)C(O)C(O)CN1[Si](C)(C)C(C)(C)C2291.6Semi standard non polar33892256
1-Deoxynojirimycin,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1CNC(CO)C(O[Si](C)(C)C(C)(C)C)C1O2239.1Semi standard non polar33892256
1-Deoxynojirimycin,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC1CNC(CO)C(O)C1O[Si](C)(C)C(C)(C)C2264.9Semi standard non polar33892256
1-Deoxynojirimycin,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1CN([Si](C)(C)C(C)(C)C)C(CO)C(O)C1O2238.3Semi standard non polar33892256
1-Deoxynojirimycin,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1C(O)CNC(CO)C1O[Si](C)(C)C(C)(C)C2247.4Semi standard non polar33892256
1-Deoxynojirimycin,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1C(O)CN([Si](C)(C)C(C)(C)C)C(CO)C1O2233.0Semi standard non polar33892256
1-Deoxynojirimycin,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1NCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O2444.3Semi standard non polar33892256
1-Deoxynojirimycin,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)OC1C(O)CN([Si](C)(C)C(C)(C)C)C(CO)C1O[Si](C)(C)C(C)(C)C2463.4Semi standard non polar33892256
1-Deoxynojirimycin,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1NCC(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C2455.0Semi standard non polar33892256
1-Deoxynojirimycin,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1C(O)C(O)C(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C2499.7Semi standard non polar33892256
1-Deoxynojirimycin,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1NCC(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2447.6Semi standard non polar33892256
1-Deoxynojirimycin,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OCC1C(O)C(O[Si](C)(C)C(C)(C)C)C(O)CN1[Si](C)(C)C(C)(C)C2487.6Semi standard non polar33892256
1-Deoxynojirimycin,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OCC1C(O[Si](C)(C)C(C)(C)C)C(O)C(O)CN1[Si](C)(C)C(C)(C)C2506.8Semi standard non polar33892256
1-Deoxynojirimycin,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)OC1CNC(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2446.2Semi standard non polar33892256
1-Deoxynojirimycin,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)OC1CN([Si](C)(C)C(C)(C)C)C(CO)C(O[Si](C)(C)C(C)(C)C)C1O2464.4Semi standard non polar33892256
1-Deoxynojirimycin,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)OC1CN([Si](C)(C)C(C)(C)C)C(CO)C(O)C1O[Si](C)(C)C(C)(C)C2466.3Semi standard non polar33892256
1-Deoxynojirimycin,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1NCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2666.3Semi standard non polar33892256
1-Deoxynojirimycin,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OCC1C(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C2730.4Semi standard non polar33892256
1-Deoxynojirimycin,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OCC1C(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)CN1[Si](C)(C)C(C)(C)C2733.2Semi standard non polar33892256
1-Deoxynojirimycin,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OCC1C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CN1[Si](C)(C)C(C)(C)C2735.3Semi standard non polar33892256
1-Deoxynojirimycin,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC1CN([Si](C)(C)C(C)(C)C)C(CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C2707.3Semi standard non polar33892256
1-Deoxynojirimycin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1C(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)CN1[Si](C)(C)C(C)(C)C2979.8Semi standard non polar33892256
1-Deoxynojirimycin,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)OCC1C(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)CN1[Si](C)(C)C(C)(C)C2874.5Standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (Non-derivatized) - 70eV, Positivesplash10-0fl1-5900000000-09ccaf21e0e609efd6172017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (4 TMS) - 70eV, Positivesplash10-002k-5149400000-2580a03958aa33e2bc7c2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_1_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_1_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_2_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_2_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_2_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_2_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_2_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_2_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_2_9) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_2_10) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_3_1) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_3_2) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_3_3) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_3_4) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_3_5) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_3_6) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_3_7) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1-Deoxynojirimycin GC-MS (TMS_3_8) - 70eV, PositiveNot Available2021-11-03Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 10V, Positive-QTOFsplash10-01ot-0900000000-32791f75384dc6882cf32015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 20V, Positive-QTOFsplash10-002b-1900000000-1faca46b0e7f580640872015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 40V, Positive-QTOFsplash10-056r-9500000000-5455e98c1af669e746302015-04-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 10V, Negative-QTOFsplash10-03di-0900000000-3a1102caeb2686ab11fe2015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 20V, Negative-QTOFsplash10-03ec-1900000000-464de33687ac562c3aa32015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 40V, Negative-QTOFsplash10-006x-9100000000-c176fdbd82c48ed84d492015-04-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 10V, Negative-QTOFsplash10-03di-1900000000-a42d6b35b2fbd973b5f82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 20V, Negative-QTOFsplash10-08gi-3900000000-a48b5705ed4a77fa06e82021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 40V, Negative-QTOFsplash10-0006-9000000000-eaa1cd3e596a00a7d4b42021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 10V, Positive-QTOFsplash10-03dj-0900000000-ed0677818bde15ead0062021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 20V, Positive-QTOFsplash10-002b-1900000000-d909c5fc9699e9ac40ce2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1-Deoxynojirimycin 40V, Positive-QTOFsplash10-0a5c-9000000000-e48c1b608f1162a1bd662021-09-23Wishart 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
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
UrineDetected but not QuantifiedNot QuantifiedNot SpecifiedNot SpecifiedCancer patients undergoing total body irradiation details
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB014031
KNApSAcK IDC00029420
Chemspider ID1333
KEGG Compound IDC16843
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia Link1-Deoxynojirimycin
METLIN IDNot Available
PubChem Compound1374
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1666961
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Enzymes

Enzyme Details
1. Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase
General function:
Involved in mannosyl-oligosaccharide 1,2-alpha-mannosidase activity
Specific function:
Involved in glycoprotein quality control targeting of misfolded glycoproteins for degradation. It primarily trims a single alpha-1,2-linked mannose residue from Man(9)GlcNAc(2) to produce Man(8)GlcNAc(2), but at high enzyme concentrations, as found in the ER quality control compartment (ERQC), it further trims the carbohydrates to Man(5-6)GlcNAc(2).
Gene Name:
MAN1B1
Uniprot ID:
Q9UKM7
Molecular weight:
79579.18
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]