MiMeDB: Showing metabocard for O-(1->4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate (MMDBc0053603)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-05-16 21:29:21 UTC

Update Date

2022-09-01 02:26:29 UTC

Metabolite ID

MMDBc0053603

Metabolite Identification

Common Name

O-(1->4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate

Description

Dihydrostreptosyl streptidine 6-phosphate, also known as DHSSP, belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Dihydrostreptosyl streptidine 6-phosphate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review very few articles have been published on Dihydrostreptosyl streptidine 6-phosphate.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305142020182D          

 32 33  0  0  1  0            999 V2000
    0.0522   -0.2558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6613    0.1549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7658    0.1549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0452   -1.2234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6613    0.9799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3749   -0.2558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7658    0.9799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4793   -0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -1.8918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0522    1.3941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3331    1.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0885    0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4863    1.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9955   -2.7167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4062   -1.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0452    2.2189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8021   -0.2593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0885    0.9729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078    1.3941    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -2.7167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4142   -3.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780   -1.8918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6648    2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3044    0.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1327    1.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3044    2.2189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3078   -3.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4480   -3.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952   -1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3783    2.2189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6648    3.4547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1327   -3.2876    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
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  9  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  6  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  6  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  2  0  0  0  0
 20 27  1  1  0  0  0
 20 28  1  0  0  0  0
 22 29  1  6  0  0  0
 23 30  1  0  0  0  0
 23 31  2  0  0  0  0
 27 32  1  0  0  0  0
  7 10  1  0  0  0  0
 20 22  1  0  0  0  0
M  END


  Mrv1652305142020182D          

 32 33  0  0  1  0            999 V2000
    0.0522   -0.2558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6613    0.1549    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7658    0.1549    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0452   -1.2234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6613    0.9799    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3749   -0.2558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7658    0.9799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4793   -0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379   -1.8918    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0522    1.3941    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3331    1.4673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0885    0.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4863    1.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9955   -2.7167    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4062   -1.4045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0452    2.2189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8021   -0.2593    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0885    0.9729    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3078    1.3941    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8169   -2.7167    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4142   -3.2597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0780   -1.8918    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6648    2.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3044    0.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1327    1.3941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3044    2.2189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3078   -3.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4480   -3.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7952   -1.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3783    2.2189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6648    3.4547    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1327   -3.2876    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
  1  4  1  6  0  0  0
  2  5  1  0  0  0  0
  2  6  1  1  0  0  0
  3  7  1  0  0  0  0
  3  8  1  1  0  0  0
  9  4  1  1  0  0  0
  5 10  1  0  0  0  0
  5 11  1  6  0  0  0
  6 12  1  0  0  0  0
  7 13  1  6  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  1  0  0  0
 12 17  1  0  0  0  0
 12 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
 14 21  1  6  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  2  0  0  0  0
 20 27  1  1  0  0  0
 20 28  1  0  0  0  0
 22 29  1  6  0  0  0
 23 30  1  0  0  0  0
 23 31  2  0  0  0  0
 27 32  1  0  0  0  0
  7 10  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0053603

> <DATABASE_NAME>
MIME

> <SMILES>
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)[C@H](O)[C@@]1(O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C14H29N6O11P/c1-3-14(25,2-21)10(24)11(29-3)30-8-4(19-12(15)16)6(22)5(20-13(17)18)9(7(8)23)31-32(26,27)28/h3-11,21-25H,2H2,1H3,(H4,15,16,19)(H4,17,18,20)(H2,26,27,28)/t3-,4-,5+,6-,7-,8+,9-,10-,11-,14+/m0/s1

> <INCHI_KEY>
RUBKAAVMXLSLAZ-UVTYLADFSA-N

> <FORMULA>
C14H29N6O11P

> <MOLECULAR_WEIGHT>
488.391

> <EXACT_MASS>
488.163192776

> <JCHEM_ACCEPTOR_COUNT>
16

> <JCHEM_ATOM_COUNT>
61

> <JCHEM_AVERAGE_POLARIZABILITY>
44.00021959750781

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
13

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(1S,2R,3S,4S,5R,6S)-2,4-dicarbamimidamido-5-{[(2R,3R,4S,5S)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy}-3,6-dihydroxycyclohexyl]oxy}phosphonic acid

> <ALOGPS_LOGP>
-2.57

> <JCHEM_LOGP>
-6.435935957363857

> <ALOGPS_LOGS>
-1.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
6.176061598276715

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.1451524611450514

> <JCHEM_PKA_STRONGEST_BASIC>
11.459966747478553

> <JCHEM_POLAR_SURFACE_AREA>
310.17

> <JCHEM_REFRACTIVITY>
122.48109999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.08e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dhssp

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 14-MAY-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-MAY-20         0                                  
HETATM    1  C   UNK     0       0.097  -0.477   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.234   0.289   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.429   0.289   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       0.084  -2.284   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -1.234   1.829   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -2.567  -0.477   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0       1.429   1.829   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       2.761  -0.477   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.377  -3.531   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.097   2.602   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -2.488   2.739   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -3.899   0.283   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       2.774   2.602   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -1.858  -5.071   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0      -2.625  -2.622   0.000  0.00  0.00           O+0
HETATM   16  N   UNK     0       0.084   4.142   0.000  0.00  0.00           N+0
HETATM   17  N   UNK     0      -5.231  -0.484   0.000  0.00  0.00           N+0
HETATM   18  N   UNK     0      -3.899   1.816   0.000  0.00  0.00           N+0
HETATM   19  P   UNK     0       4.308   2.602   0.000  0.00  0.00           P+0
HETATM   20  C   UNK     0      -3.392  -5.071   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -0.773  -6.085   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      -3.879  -3.531   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.241   4.909   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       4.301   1.062   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       5.848   2.602   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       4.301   4.142   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -4.308  -6.306   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -2.703  -6.449   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -5.218  -2.752   0.000  0.00  0.00           C+0
HETATM   30  N   UNK     0      -2.573   4.142   0.000  0.00  0.00           N+0
HETATM   31  N   UNK     0      -1.241   6.449   0.000  0.00  0.00           N+0
HETATM   32  O   UNK     0      -5.848  -6.137   0.000  0.00  0.00           O+0
CONECT    1    2    3    4                                                  
CONECT    2    1    5    6                                                  
CONECT    3    1    7    8                                                  
CONECT    4    1    9                                                       
CONECT    5    2   10   11                                                  
CONECT    6    2   12                                                       
CONECT    7    3   13   10                                                  
CONECT    8    3                                                            
CONECT    9    4   14   15                                                  
CONECT   10    5   16    7                                                  
CONECT   11    5                                                            
CONECT   12    6   17   18                                                  
CONECT   13    7   19                                                       
CONECT   14    9   20   21                                                  
CONECT   15    9   22                                                       
CONECT   16   10   23                                                       
CONECT   17   12                                                            
CONECT   18   12                                                            
CONECT   19   13   24   25   26                                             
CONECT   20   14   27   28   22                                             
CONECT   21   14                                                            
CONECT   22   15   29   20                                                  
CONECT   23   16   30   31                                                  
CONECT   24   19                                                            
CONECT   25   19                                                            
CONECT   26   19                                                            
CONECT   27   20   32                                                       
CONECT   28   20                                                            
CONECT   29   22                                                            
CONECT   30   23                                                            
CONECT   31   23                                                            
CONECT   32   27                                                            
MASTER        0    0    0    0    0    0    0    0   32    0   66    0
END

Synonyms

Value	Source
DHSSP	ChEBI
O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate	ChEBI
alpha-L-Dihydrostreptosyl-(1->4)-streptidine 6-phosphate	Kegg
O-1,4-a-L-Dihydrostreptosyl-streptidine 6-phosphate	Generator
O-1,4-a-L-Dihydrostreptosyl-streptidine 6-phosphoric acid	Generator
O-1,4-alpha-L-Dihydrostreptosyl-streptidine 6-phosphoric acid	Generator
O-1,4-Α-L-dihydrostreptosyl-streptidine 6-phosphate	Generator
O-1,4-Α-L-dihydrostreptosyl-streptidine 6-phosphoric acid	Generator
a-L-Dihydrostreptosyl-(1->4)-streptidine 6-phosphate	Generator
a-L-Dihydrostreptosyl-(1->4)-streptidine 6-phosphoric acid	Generator
alpha-L-Dihydrostreptosyl-(1->4)-streptidine 6-phosphoric acid	Generator
Α-L-dihydrostreptosyl-(1->4)-streptidine 6-phosphate	Generator
Α-L-dihydrostreptosyl-(1->4)-streptidine 6-phosphoric acid	Generator
Dihydrostreptosyl streptidine 6-phosphoric acid	Generator
Dihydrostreptosyl streptidine 6-phosphate	ChEBI
O-(1->4)-a-L-dihydrostreptosylstreptidine 6-phosphate	Generator
O-(1->4)-a-L-dihydrostreptosylstreptidine 6-phosphoric acid	Generator
O-(1->4)-alpha-L-dihydrostreptosylstreptidine 6-phosphoric acid	Generator
O-(1->4)-α-L-dihydrostreptosylstreptidine 6-phosphate	Generator
O-(1->4)-α-L-dihydrostreptosylstreptidine 6-phosphoric acid	Generator

Molecular Formula

C₁₄H₂₉N₆O₁₁P

Average Mass

488.391

Monoisotopic Mass

488.163192776

IUPAC Name

{[(1S,2R,3S,4S,5R,6S)-2,4-dicarbamimidamido-5-{[(2R,3R,4S,5S)-3,4-dihydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxy}-3,6-dihydroxycyclohexyl]oxy}phosphonic acid

Traditional Name

dhssp

CAS Registry Number

Not Available

SMILES

C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](OP(O)(O)=O)[C@H](NC(N)=N)[C@@H](O)[C@@H]2NC(N)=N)[C@H](O)[C@@]1(O)CO

InChI Identifier

InChI=1S/C14H29N6O11P/c1-3-14(25,2-21)10(24)11(29-3)30-8-4(19-12(15)16)6(22)5(20-13(17)18)9(7(8)23)31-32(26,27)28/h3-11,21-25H,2H2,1H3,(H4,15,16,19)(H4,17,18,20)(H2,26,27,28)/t3-,4-,5+,6-,7-,8+,9-,10-,11-,14+/m0/s1

InChI Key

RUBKAAVMXLSLAZ-UVTYLADFSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

O-glycosyl compound
Cyclohexanol
Monoalkyl phosphate
Cyclitol or derivatives
Monosaccharide
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Cyclic alcohol
Tertiary alcohol
Tetrahydrofuran
Guanidine
Secondary alcohol
Organic 1,3-dipolar compound
Organoheterocyclic compound
Oxacycle
Acetal
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Alcohol
Primary alcohol
Organonitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organic nitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

scyllo-inositol phosphate (CHEBI:17265 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	10.8 g/L	ALOGPS
logP	-2.6	ALOGPS
logP	-6.4	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	1.15	ChemAxon
pKa (Strongest Basic)	11.46	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	16	ChemAxon
Hydrogen Donor Count	13	ChemAxon
Polar Surface Area	310.17 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	122.48 m³·mol⁻¹	ChemAxon
Polarizability	44 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (TMS_5_922) - 70eV, Positive	Not Available	2022-08-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available	2022-08-10	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available	2022-08-10	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Actinobacteria	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4444309

KEGG Compound ID

C04767

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5280728

PDB ID

Not Available

ChEBI ID

17265

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for O-(1->4)-alpha-L-Dihydrostreptosyl-streptidine 6-phosphate (MMDBc0053603)

MOL for #<Metabolite:0x00005634c27d15c0>

3D MOL for #<Metabolite:0x00005634c27d15c0>

3D SDF for #<Metabolite:0x00005634c27d15c0>

3D-SDF for #<Metabolite:0x00005634c27d15c0>

PDB for #<Metabolite:0x00005634c27d15c0>

3D PDB for #<Metabolite:0x00005634c27d15c0>

SMILES for #<Metabolite:0x00005634c27d15c0>

INCHI for #<Metabolite:0x00005634c27d15c0>

Structure for #<Metabolite:0x00005634c27d15c0>

3D Structure for #<Metabolite:0x00005634c27d15c0>