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Showing metabocard for Sedridine (HMDB0302907)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-23 21:39:41 UTC
Update Date2021-09-23 21:39:43 UTC
HMDB IDHMDB0302907
Secondary Accession NumbersNone
Metabolite Identification
Common NameSedridine
DescriptionSedridine is a member of the class of 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. Sedridine is soluble (in water) and an extremely weak acidic compound (based on its pKa). Sedridine can be found in pomegranate, which makes sedridine a potential biomarker for the consumption of this food product.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0302907 (Sedridine)


  Mrv0541 02241221242D          

 10 10  0  0  1  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  6  0  0  0
M  END
Download

3D MOL for HMDB0302907 (Sedridine)

HMDB0302907
     RDKit          3D
Sedridine
 27 27  0  0  0  0  0  0  0  0999 V2000
    2.4508    1.0644   -0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2762   -0.3959   -0.1030 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1173   -0.6613    1.2754 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853   -1.0373   -0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.5539   -0.6137 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6373   -0.7285    0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689   -0.7533    0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6857    0.3720   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419    1.3368   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4606    0.7864   -0.9847 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6237    1.6879    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034    1.2998   -1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3527    1.3742    0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300   -0.8927   -0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047   -0.8318    1.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064   -2.1276   -0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3813   -0.9430   -1.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730   -1.2042   -1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832    0.1710    1.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2181   -1.6136    1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -1.7074    0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -0.8195    1.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4222    0.9459    0.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2881    0.0227   -0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1177    1.9703   -1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4402    2.0524    0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230    1.1864   -1.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  6
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  6
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
M  END
Download

3D SDF for HMDB0302907 (Sedridine)


  Mrv0541 02241221242D          

 10 10  0  0  1  0            999 V2000
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    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
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  3  1  1  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  4  9  1  0  0  0  0
  2 10  1  6  0  0  0
M  END
> <DATABASE_ID>
HMDB0302907

> <DATABASE_NAME>
hmdb

> <SMILES>
C[C@@H](O)C[C@H]1CCCCN1

> <INCHI_IDENTIFIER>
InChI=1S/C8H17NO/c1-7(10)6-8-4-2-3-5-9-8/h7-10H,2-6H2,1H3/t7-,8-/m1/s1

> <INCHI_KEY>
GFKFBLJVPWRDEL-HTQZYQBOSA-N

> <FORMULA>
C8H17NO

> <MOLECULAR_WEIGHT>
143.2267

> <EXACT_MASS>
143.131014171

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
17.302713236163132

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R)-1-[(2R)-piperidin-2-yl]propan-2-ol

> <ALOGPS_LOGP>
0.83

> <JCHEM_LOGP>
0.5036874816666664

> <ALOGPS_LOGS>
-0.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.614110253891333

> <JCHEM_PKA_STRONGEST_BASIC>
10.064388897558905

> <JCHEM_POLAR_SURFACE_AREA>
32.26

> <JCHEM_REFRACTIVITY>
42.0821

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.72e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-1-[(2R)-piperidin-2-yl]propan-2-ol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0302907 (Sedridine)

HMDB0302907
     RDKit          3D
Sedridine
 27 27  0  0  0  0  0  0  0  0999 V2000
    2.4508    1.0644   -0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2762   -0.3959   -0.1030 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1173   -0.6613    1.2754 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853   -1.0373   -0.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1958   -0.5539   -0.6137 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6373   -0.7285    0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1689   -0.7533    0.7963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6857    0.3720   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6419    1.3368   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4606    0.7864   -0.9847 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6237    1.6879    0.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034    1.2998   -1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3527    1.3742    0.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2300   -0.8927   -0.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0047   -0.8318    1.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064   -2.1276   -0.6548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3813   -0.9430   -1.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730   -1.2042   -1.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3832    0.1710    1.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2181   -1.6136    1.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4237   -1.7074    0.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5986   -0.8195    1.8004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4222    0.9459    0.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2881    0.0227   -0.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1177    1.9703   -1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4402    2.0524    0.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230    1.1864   -1.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  6
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  6
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
M  END
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PDB for HMDB0302907 (Sedridine)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   3.850   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       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  N   UNK     0       0.000   1.540   0.000  0.00  0.00           N+0
HETATM   10  O   UNK     0      -1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    9                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8    4                                                       
CONECT   10    2                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for HMDB0302907 (Sedridine)

COMPND    HMDB0302907
HETATM    1  C1  UNL     1       2.451   1.064  -0.276  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.276  -0.396  -0.103  1.00  0.00           C  
HETATM    3  O1  UNL     1       2.117  -0.661   1.275  1.00  0.00           O  
HETATM    4  C3  UNL     1       1.185  -1.037  -0.871  1.00  0.00           C  
HETATM    5  C4  UNL     1      -0.196  -0.554  -0.614  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.637  -0.728   0.825  1.00  0.00           C  
HETATM    7  C6  UNL     1      -2.169  -0.753   0.796  1.00  0.00           C  
HETATM    8  C7  UNL     1      -2.686   0.372  -0.033  1.00  0.00           C  
HETATM    9  C8  UNL     1      -1.642   1.337  -0.495  1.00  0.00           C  
HETATM   10  N1  UNL     1      -0.461   0.786  -0.985  1.00  0.00           N  
HETATM   11  H1  UNL     1       1.624   1.688   0.085  1.00  0.00           H  
HETATM   12  H2  UNL     1       2.703   1.300  -1.352  1.00  0.00           H  
HETATM   13  H3  UNL     1       3.353   1.374   0.295  1.00  0.00           H  
HETATM   14  H4  UNL     1       3.230  -0.893  -0.383  1.00  0.00           H  
HETATM   15  H5  UNL     1       3.005  -0.832   1.701  1.00  0.00           H  
HETATM   16  H6  UNL     1       1.206  -2.128  -0.655  1.00  0.00           H  
HETATM   17  H7  UNL     1       1.381  -0.943  -1.960  1.00  0.00           H  
HETATM   18  H8  UNL     1      -0.873  -1.204  -1.223  1.00  0.00           H  
HETATM   19  H9  UNL     1      -0.383   0.171   1.445  1.00  0.00           H  
HETATM   20  H10 UNL     1      -0.218  -1.614   1.295  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.424  -1.707   0.254  1.00  0.00           H  
HETATM   22  H12 UNL     1      -2.599  -0.820   1.800  1.00  0.00           H  
HETATM   23  H13 UNL     1      -3.422   0.946   0.598  1.00  0.00           H  
HETATM   24  H14 UNL     1      -3.288   0.023  -0.918  1.00  0.00           H  
HETATM   25  H15 UNL     1      -2.118   1.970  -1.297  1.00  0.00           H  
HETATM   26  H16 UNL     1      -1.440   2.052   0.339  1.00  0.00           H  
HETATM   27  H17 UNL     1       0.023   1.186  -1.763  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3    4   14
CONECT    3   15
CONECT    4    5   16   17
CONECT    5    6   10   18
CONECT    6    7   19   20
CONECT    7    8   21   22
CONECT    8    9   23   24
CONECT    9   10   25   26
CONECT   10   27
END
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SMILES for HMDB0302907 (Sedridine)

C[C@@H](O)C[C@H]1CCCCN1
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INCHI for HMDB0302907 (Sedridine)

InChI=1S/C8H17NO/c1-7(10)6-8-4-2-3-5-9-8/h7-10H,2-6H2,1H3/t7-,8-/m1/s1
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC8H17NO
Average Molecular Weight143.2267
Monoisotopic Molecular Weight143.131014171
IUPAC Name(2R)-1-[(2R)-piperidin-2-yl]propan-2-ol
Traditional Name(2R)-1-[(2R)-piperidin-2-yl]propan-2-ol
CAS Registry NumberNot Available
SMILES
C[C@@H](O)C[C@H]1CCCCN1
InChI Identifier
InChI=1S/C8H17NO/c1-7(10)6-8-4-2-3-5-9-8/h7-10H,2-6H2,1H3/t7-,8-/m1/s1
InChI KeyGFKFBLJVPWRDEL-HTQZYQBOSA-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
  • 1,3-aminoalcohol
  • Secondary alcohol
  • Azacycle
  • Secondary amine
  • Secondary aliphatic amine
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Amine
  • Alcohol
  • Aliphatic heteromonocyclic compound
Molecular FrameworkAliphatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
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
logP0.83ALOGPS
logP0.5ChemAxon
logS-0.4ALOGPS
pKa (Strongest Acidic)15.61ChemAxon
pKa (Strongest Basic)10.06ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area32.26 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity42.08 m³·mol⁻¹ChemAxon
Polarizability17.3 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
AllCCS[M+H]+132.27932859911
AllCCS[M+H-H2O]+127.70632859911
AllCCS[M+Na]+137.77732859911
AllCCS[M+NH4]+136.54632859911
AllCCS[M-H]-133.95932859911
AllCCS[M+Na-2H]-135.73432859911
AllCCS[M+HCOO]-137.75132859911
DeepCCS[M+H]+133.43830932474
DeepCCS[M-H]-130.58530932474
DeepCCS[M-2H]-166.64630932474
DeepCCS[M+Na]+141.96930932474

Predicted Kovats Retention Indices

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Sedridine,2TMS,isomer #1C[C@H](C[C@H]1CCCCN1[Si](C)(C)C)O[Si](C)(C)C1394.9Semi standard non polar33892256
Sedridine,2TMS,isomer #1C[C@H](C[C@H]1CCCCN1[Si](C)(C)C)O[Si](C)(C)C1537.3Standard non polar33892256
Sedridine,2TMS,isomer #1C[C@H](C[C@H]1CCCCN1[Si](C)(C)C)O[Si](C)(C)C1719.5Standard polar33892256
Sedridine,2TBDMS,isomer #1C[C@H](C[C@H]1CCCCN1[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C1879.8Semi standard non polar33892256
Sedridine,2TBDMS,isomer #1C[C@H](C[C@H]1CCCCN1[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C1984.9Standard non polar33892256
Sedridine,2TBDMS,isomer #1C[C@H](C[C@H]1CCCCN1[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C1968.8Standard polar33892256
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 10V, Positive-QTOFsplash10-004i-0900000000-957e10f09142d1e7c9c52016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 20V, Positive-QTOFsplash10-004i-6900000000-8b5ee58adfc2297848af2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 40V, Positive-QTOFsplash10-053u-9100000000-c4f5a85d7bebbe44306e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 10V, Negative-QTOFsplash10-0006-1900000000-ce58c582c6e4cfa86e172016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 20V, Negative-QTOFsplash10-006y-6900000000-46da0984e64873432e642016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 40V, Negative-QTOFsplash10-053r-9200000000-0a07d4b2d489cdf52a6e2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 10V, Positive-QTOFsplash10-0006-3900000000-8fad20c7c79a26fba0482021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 20V, Positive-QTOFsplash10-003r-9300000000-49c3d528d4c6caeed2232021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 40V, Positive-QTOFsplash10-001i-9000000000-59e799f82a6e97e8e7a72021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 10V, Negative-QTOFsplash10-0006-1900000000-6eba6220dbb245adaf372021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 20V, Negative-QTOFsplash10-006x-5900000000-ce630ccd6140f686595b2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Sedridine 40V, Negative-QTOFsplash10-0006-9100000000-d224c2e1a12bc2edb23f2021-10-21Wishart 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 IDFDB006810
KNApSAcK IDNot Available
Chemspider ID185128
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound213522
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