MiMeDB: Showing metabocard for D-Cellohexaose (MMDBc0057100)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2022-10-17 17:51:55 UTC

Update Date

2025-10-07 16:09:49 UTC

Metabolite ID

MMDBc0057100

Metabolite Identification

Common Name

D-Cellohexaose

Description

D-Cellohexaose is a carbohydrate belonging to the class of oligosaccharides, specifically a hexasaccharide composed of six D-glucose units linked by β-1,4-glycosidic bonds. Its chemical structure can be represented as a linear chain of glucose molecules, which contributes to its role in various biochemical pathways. D-Cellohexaose is involved in the enzymatic hydrolysis process, where it can be broken down by specific enzymes into smaller oligosaccharides and monosaccharides. For instance, the hydrolysis of D-cellotetraose and D-cellohexaose primarily yields D-cellobiose, alongside D-glucose and D-cellotriose, indicating its position within the cellulose degradation pathway (PMID:35910630 ). This pathway is crucial for the breakdown of cellulose in various organisms, facilitating the conversion of plant biomass into simpler sugars that can be utilized by microbial communities and other organisms for energy and growth. The presence of D-cellohexaose in such processes underscores its importance in carbohydrate metabolism and its potential applications in biotechnological fields, such as biofuel production and bioconversion of lignocellulosic materials.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652310172219512D          

 67 72  0  0  1  0            999 V2000
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M  END


  Mrv1652310172219512D          

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 66 67  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0057100

> <DATABASE_NAME>
MIME

> <SMILES>
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32+,33+,34+,35+,36+/m1/s1

> <INCHI_KEY>
OCIBBXPLUVYKCH-UOHXBEGVSA-N

> <FORMULA>
C36H62O31

> <MOLECULAR_WEIGHT>
990.861

> <EXACT_MASS>
990.327505216

> <JCHEM_ACCEPTOR_COUNT>
31

> <JCHEM_ATOM_COUNT>
129

> <JCHEM_AVERAGE_POLARIZABILITY>
94.88172167566793

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
20

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.52

> <JCHEM_LOGP>
-11.786717446333334

> <ALOGPS_LOGS>
-0.60

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.734849808648772

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.15073491465429

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6854877292317454

> <JCHEM_POLAR_SURFACE_AREA>
506.13000000000017

> <JCHEM_REFRACTIVITY>
197.9899000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.52e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-OCT-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-OCT-22         0                                  
HETATM    1  O   UNK     0     -13.337 -18.480   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0     -12.003 -19.250   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.003 -20.790   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0     -10.669 -21.560   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0     -10.669 -23.100   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -9.336 -23.870   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -8.002 -23.100   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.002 -21.560   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -9.336 -20.790   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -6.668 -20.790   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -6.668 -19.250   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      -5.335 -21.560   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -4.001 -20.790   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -2.667 -21.560   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -2.667 -23.100   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -4.001 -23.870   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -1.334 -23.870   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      -1.334 -25.410   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -0.000 -23.100   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       1.334 -23.870   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       2.667 -23.100   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667 -21.560   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       1.334 -20.790   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.001 -20.790   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       4.001 -19.250   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       5.335 -21.560   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.668 -20.790   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       8.002 -21.560   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       8.002 -23.100   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       6.668 -23.870   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       9.336 -23.870   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       9.336 -25.410   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      10.669 -23.100   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      12.003 -23.870   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      13.337 -23.100   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.337 -21.560   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      12.003 -20.790   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      14.670 -20.790   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      14.670 -19.250   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      16.004 -21.560   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      17.338 -20.790   0.000  0.00  0.00           O+0
HETATM   42  O   UNK     0      16.004 -23.100   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0      14.670 -23.870   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      14.670 -25.410   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      16.004 -26.180   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      10.669 -21.560   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       9.336 -20.790   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       9.336 -19.250   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0      10.669 -18.480   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0       5.335 -23.100   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       4.001 -23.870   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0       4.001 -25.410   0.000  0.00  0.00           C+0
HETATM   53  O   UNK     0       2.667 -26.180   0.000  0.00  0.00           O+0
HETATM   54  O   UNK     0      -0.000 -21.560   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0      -1.334 -20.790   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0      -1.334 -19.250   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0      -2.667 -18.480   0.000  0.00  0.00           O+0
HETATM   58  O   UNK     0      -5.335 -23.100   0.000  0.00  0.00           O+0
HETATM   59  C   UNK     0      -6.668 -23.870   0.000  0.00  0.00           C+0
HETATM   60  C   UNK     0      -6.668 -25.410   0.000  0.00  0.00           C+0
HETATM   61  O   UNK     0      -8.002 -26.180   0.000  0.00  0.00           O+0
HETATM   62  C   UNK     0     -12.003 -23.870   0.000  0.00  0.00           C+0
HETATM   63  O   UNK     0     -12.003 -25.410   0.000  0.00  0.00           O+0
HETATM   64  C   UNK     0     -13.337 -23.100   0.000  0.00  0.00           C+0
HETATM   65  O   UNK     0     -14.670 -23.870   0.000  0.00  0.00           O+0
HETATM   66  C   UNK     0     -13.337 -21.560   0.000  0.00  0.00           C+0
HETATM   67  O   UNK     0     -14.670 -20.790   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   66                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   62                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   59                                                  
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13   58                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   55                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   54                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   51                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   50                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   47                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   46                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   43                                                  
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   43                                                       
CONECT   43   42   35   44                                                  
CONECT   44   43   45                                                       
CONECT   45   44                                                            
CONECT   46   33   47                                                       
CONECT   47   46   28   48                                                  
CONECT   48   47   49                                                       
CONECT   49   48                                                            
CONECT   50   26   51                                                       
CONECT   51   50   21   52                                                  
CONECT   52   51   53                                                       
CONECT   53   52                                                            
CONECT   54   19   55                                                       
CONECT   55   54   14   56                                                  
CONECT   56   55   57                                                       
CONECT   57   56                                                            
CONECT   58   12   59                                                       
CONECT   59   58    7   60                                                  
CONECT   60   59   61                                                       
CONECT   61   60                                                            
CONECT   62    5   63   64                                                  
CONECT   63   62                                                            
CONECT   64   62   65   66                                                  
CONECT   65   64                                                            
CONECT   66   64    3   67                                                  
CONECT   67   66                                                            
MASTER        0    0    0    0    0    0    0    0   67    0  144    0
END

Synonyms

Value	Source
beta-D-Gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->4)-beta-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranose	ChEBI
WURCS=2.0/2,6,5/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2-2-2-2/a4-b1_b4-c1_c4-D1_d4-e1_e4-F1	ChEBI
b-D-Gluco-hexopyranosyl-(1->4)-b-D-gluco-hexopyranosyl-(1->4)-b-D-gluco-hexopyranosyl-(1->4)-b-D-gluco-hexopyranosyl-(1->4)-b-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranose	Generator
Β-D-gluco-hexopyranosyl-(1->4)-β-D-gluco-hexopyranosyl-(1->4)-β-D-gluco-hexopyranosyl-(1->4)-β-D-gluco-hexopyranosyl-(1->4)-β-D-gluco-hexopyranosyl-(1->4)-D-gluco-hexopyranose	Generator

Molecular Formula

C₃₆H₆₂O₃₁

Average Mass

990.861

Monoisotopic Mass

990.327505216

IUPAC Name

(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

CAS Registry Number

Not Available

SMILES

OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](O)C(O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

InChI Identifier

InChI=1S/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)47)63-26-8(2-38)57-31(56)20(50)15(26)45/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31?,32+,33+,34+,35+,36+/m1/s1

InChI Key

OCIBBXPLUVYKCH-UOHXBEGVSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
O-glycosyl compound
Glycosyl compound
Oxane
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Acetal
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	252 g/L	ALOGPS
logP	-2.5	ALOGPS
logP	-12	ChemAxon
logS	-0.6	ALOGPS
pKa (Strongest Acidic)	11.15	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	31	ChemAxon
Hydrogen Donor Count	20	ChemAxon
Polar Surface Area	506.13 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	197.99 m³·mol⁻¹	ChemAxon
Polarizability	94.88 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (eluted)	2025-10-24	945.1
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-24	704.6
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (void)	2025-10-24	183.4
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-24	417.1
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-24	513.2
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-24	306.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	1019.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	1395.5
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (void)	2025-10-24	669.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-24	217.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-24	874.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (void)	2025-10-24	267.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	24.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	838.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-24	907.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	135.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (void)	2025-10-24	584.9
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-24	1314.7
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-24	903.8

Retention Indices

Not Available

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

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0025695	D-Cellohexaose	Hydrogen peroxide	Glucooligosaccharide oxidase	Oxidation	RHEA	34755880

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

Exposure Sources

Other Exposures

Source Type	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

30984572

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

74539963

PDB ID

Not Available

ChEBI ID

143194

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

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 D-Cellohexaose (MMDBc0057100)

MOL for #<Metabolite:0x00007f9ac4a9ccc8>

3D MOL for #<Metabolite:0x00007f9ac4a9ccc8>

3D SDF for #<Metabolite:0x00007f9ac4a9ccc8>

3D-SDF for #<Metabolite:0x00007f9ac4a9ccc8>

PDB for #<Metabolite:0x00007f9ac4a9ccc8>

3D PDB for #<Metabolite:0x00007f9ac4a9ccc8>

SMILES for #<Metabolite:0x00007f9ac4a9ccc8>

INCHI for #<Metabolite:0x00007f9ac4a9ccc8>

Structure for #<Metabolite:0x00007f9ac4a9ccc8>

3D Structure for #<Metabolite:0x00007f9ac4a9ccc8>