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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:33:46 UTC

Update Date

2022-03-07 02:52:22 UTC

HMDB ID

HMDB0029952

Secondary Accession Numbers

HMDB29952

Metabolite Identification

Common Name

D-altro-D-manno-Heptose

Description

D-altro-D-manno-Heptose, also known as 4'-nitro-1,1-dicyanostyrene or dicyano-p-nitrostyrene, belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn. Based on a literature review very few articles have been published on D-altro-D-manno-Heptose.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

  Mrv0541 05061304562D          

 14 14  0  0  0  0            999 V2000
   -4.6813   -3.7235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9669   -3.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9669   -2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6813   -2.0735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -0.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -0.8360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234   -1.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1090   -0.8360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524   -1.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2524   -2.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -3.3110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8234   -2.0735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1090   -2.4860    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
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0029952

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC(O)C1OC(O)C(O)C(O)C1O

> <INCHI_IDENTIFIER>
InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2

> <INCHI_KEY>
BGWQRWREUZVRGI-UHFFFAOYSA-N

> <FORMULA>
C7H14O7

> <MOLECULAR_WEIGHT>
210.1819

> <EXACT_MASS>
210.073952802

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_AVERAGE_POLARIZABILITY>
19.097842882234907

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol

> <ALOGPS_LOGP>
-2.82

> <JCHEM_LOGP>
-3.56287416

> <ALOGPS_LOGS>
0.36

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.601623047954277

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.293627891368423

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974505986946932

> <JCHEM_POLAR_SURFACE_AREA>
130.61

> <JCHEM_REFRACTIVITY>
41.8859

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.85e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

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  O   UNK     0      -8.738  -6.951   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -7.405  -6.181   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -7.405  -4.641   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -8.738  -3.871   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      -4.737  -0.021   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -4.737  -1.561   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.404  -2.331   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.070  -1.561   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      -6.071  -2.331   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -6.071  -3.871   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.737  -4.641   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -4.737  -6.181   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      -3.404  -3.871   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      -2.070  -4.641   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3                                                            
CONECT    5    6                                                            
CONECT    6    5    7    9                                                  
CONECT    7    6    8   13                                                  
CONECT    8    7                                                            
CONECT    9    6   10                                                       
CONECT   10    3    9   11                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13    7   11   14                                                  
CONECT   14   13                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   28    0
END

COMPND    HMDB0029952
HETATM    1  O1  UNL     1      -3.065   0.745  -0.387  1.00  0.00           O  
HETATM    2  C1  UNL     1      -2.854  -0.158   0.653  1.00  0.00           C  
HETATM    3  C2  UNL     1      -1.721  -1.082   0.243  1.00  0.00           C  
HETATM    4  O2  UNL     1      -2.185  -1.715  -0.937  1.00  0.00           O  
HETATM    5  C3  UNL     1      -0.482  -0.328  -0.178  1.00  0.00           C  
HETATM    6  O3  UNL     1       0.408  -1.299  -0.677  1.00  0.00           O  
HETATM    7  C4  UNL     1       1.449  -0.677  -1.311  1.00  0.00           C  
HETATM    8  O4  UNL     1       2.310  -1.691  -1.787  1.00  0.00           O  
HETATM    9  C5  UNL     1       2.245   0.240  -0.414  1.00  0.00           C  
HETATM   10  O5  UNL     1       3.083  -0.420   0.451  1.00  0.00           O  
HETATM   11  C6  UNL     1       1.332   1.209   0.275  1.00  0.00           C  
HETATM   12  O6  UNL     1       1.971   2.005   1.183  1.00  0.00           O  
HETATM   13  C7  UNL     1       0.224   0.372   0.932  1.00  0.00           C  
HETATM   14  O7  UNL     1      -0.565   1.144   1.749  1.00  0.00           O  
HETATM   15  H1  UNL     1      -3.149   1.688  -0.041  1.00  0.00           H  
HETATM   16  H2  UNL     1      -2.732   0.298   1.634  1.00  0.00           H  
HETATM   17  H3  UNL     1      -3.776  -0.812   0.695  1.00  0.00           H  
HETATM   18  H4  UNL     1      -1.447  -1.804   1.019  1.00  0.00           H  
HETATM   19  H5  UNL     1      -2.271  -0.951  -1.593  1.00  0.00           H  
HETATM   20  H6  UNL     1      -0.688   0.361  -1.015  1.00  0.00           H  
HETATM   21  H7  UNL     1       1.131  -0.112  -2.210  1.00  0.00           H  
HETATM   22  H8  UNL     1       1.813  -2.159  -2.507  1.00  0.00           H  
HETATM   23  H9  UNL     1       2.898   0.852  -1.101  1.00  0.00           H  
HETATM   24  H10 UNL     1       2.745  -1.264   0.787  1.00  0.00           H  
HETATM   25  H11 UNL     1       0.800   1.791  -0.527  1.00  0.00           H  
HETATM   26  H12 UNL     1       1.882   2.965   0.889  1.00  0.00           H  
HETATM   27  H13 UNL     1       0.746  -0.406   1.542  1.00  0.00           H  
HETATM   28  H14 UNL     1      -0.105   1.209   2.633  1.00  0.00           H  
CONECT    1    2   15
CONECT    2    3   16   17
CONECT    3    4    5   18
CONECT    4   19
CONECT    5    6   13   20
CONECT    6    7
CONECT    7    8    9   21
CONECT    8   22
CONECT    9   10   11   23
CONECT   10   24
CONECT   11   12   13   25
CONECT   12   26
CONECT   13   14   27
CONECT   14   28
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(4-Nitrobenzylidene)malononitrile	HMDB
(4-Nitrobenzylidene)propanedinitrile	HMDB
(p-Nitrobenzylidene)-malononitrile	HMDB
2-(4-(Hydroxy(oxido)amino)benzylidene)malononitrile	HMDB
2-(4-Nitro-benzylidene)-malononitrile	HMDB
2-(4-Nitrobenzylidene)malononitrile	HMDB
2-Cyano-3-(p-nitrophenyl)acrylonitrile	HMDB
4'-Nitro-1,1-dicyanostyrene	HMDB
4-(2,2-Dicyanoethenyl)nitrobenzene	HMDB
4-Nitrobenzylidene malononitrile	HMDB
4-Nitrobenzylidenemalononitrile	HMDB
ADP-D-Glycero-D-manno-heptose	HMDB
Dicyano-p-nitrostyrene	HMDB
Nitrobenzene, 4-(2,2-dicyanoethenyl)	HMDB
p-Nirobenzylidene malononitrile	HMDB
p-Nitrobenzalmalonitrile	HMDB
[(4-Nitrophenyl)methylene]-propanedinitrile	HMDB

Chemical Formula

C₇H₁₄O₇

Average Molecular Weight

210.1819

Monoisotopic Molecular Weight

210.073952802

IUPAC Name

6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol

Traditional Name

6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol

CAS Registry Number

1961-73-5

SMILES

OCC(O)C1OC(O)C(O)C(O)C1O

InChI Identifier

InChI=1S/C7H14O7/c8-1-2(9)6-4(11)3(10)5(12)7(13)14-6/h2-13H,1H2

InChI Key

BGWQRWREUZVRGI-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monosaccharides. Monosaccharides are compounds containing one carbohydrate unit not glycosidically linked to another such unit, and no set of two or more glycosidically linked carbohydrate units. Monosaccharides have the general formula CnH2nOn.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharides

Alternative Parents

Substituents

Oxane
Monosaccharide
Secondary alcohol
Hemiacetal
Oxacycle
Organoheterocyclic compound
Polyol
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

a D-heptose (CPD-12339 )

Ontology

Not Available

Endogenous (HMDB: HMDB0029952)

Exogenous

Food

Food (HMDB: HMDB0029952)

Exogenous (HMDB: HMDB0029952)

Process

Naturally occurring process

Biological process

Biochemical pathway

Metabolic pathway

ADP-L-glycero-beta-D-manno-heptose Biosynthesis (PathBank: SMP0002107)

Role

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	485 g/L	ALOGPS
logP	-2.8	ALOGPS
logP	-3.6	ChemAxon
logS	0.36	ALOGPS
pKa (Strongest Acidic)	11.29	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	130.61 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	41.89 m³·mol⁻¹	ChemAxon
Polarizability	19.1 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	146.087	31661259
DarkChem	[M-H]-	141.909	31661259
DeepCCS	[M+H]+	143.907	30932474
DeepCCS	[M-H]-	141.549	30932474
DeepCCS	[M-2H]-	176.914	30932474
DeepCCS	[M+Na]+	152.159	30932474
AllCCS	[M+H]+	147.8	32859911
AllCCS	[M+H-H2O]+	143.8	32859911
AllCCS	[M+NH4]+	151.6	32859911
AllCCS	[M+Na]+	152.6	32859911
AllCCS	[M-H]-	139.3	32859911
AllCCS	[M+Na-2H]-	139.8	32859911
AllCCS	[M+HCOO]-	140.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-altro-D-manno-Heptose	OCC(O)C1OC(O)C(O)C(O)C1O	4237.5	Standard polar	33892256
D-altro-D-manno-Heptose	OCC(O)C1OC(O)C(O)C(O)C1O	2149.7	Standard non polar	33892256
D-altro-D-manno-Heptose	OCC(O)C1OC(O)C(O)C(O)C1O	1853.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-altro-D-manno-Heptose,1TMS,isomer #1	C[Si](C)(C)OCC(O)C1OC(O)C(O)C(O)C1O	2131.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TMS,isomer #2	C[Si](C)(C)OC(CO)C1OC(O)C(O)C(O)C1O	2120.5	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TMS,isomer #3	C[Si](C)(C)OC1OC(C(O)CO)C(O)C(O)C1O	2089.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TMS,isomer #4	C[Si](C)(C)OC1C(O)OC(C(O)CO)C(O)C1O	2086.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TMS,isomer #5	C[Si](C)(C)OC1C(O)C(O)OC(C(O)CO)C1O	2095.5	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TMS,isomer #6	C[Si](C)(C)OC1C(O)C(O)C(O)OC1C(O)CO	2088.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)C(O)C(O)C1O	2126.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #10	C[Si](C)(C)OC1OC(C(O)CO)C(O[Si](C)(C)C)C(O)C1O	2049.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #11	C[Si](C)(C)OC1OC(C(O)CO)C(O)C(O[Si](C)(C)C)C1O	2023.5	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #12	C[Si](C)(C)OC1OC(C(O)CO)C(O)C(O)C1O[Si](C)(C)C	2063.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #13	C[Si](C)(C)OC1C(O)OC(C(O)CO)C(O[Si](C)(C)C)C1O	2018.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #14	C[Si](C)(C)OC1C(O)OC(C(O)CO)C(O)C1O[Si](C)(C)C	2033.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #15	C[Si](C)(C)OC1C(O)C(O)OC(C(O)CO)C1O[Si](C)(C)C	2044.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #2	C[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C)C(O)C(O)C1O	2119.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #3	C[Si](C)(C)OCC(O)C1OC(O)C(O[Si](C)(C)C)C(O)C1O	2118.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #4	C[Si](C)(C)OCC(O)C1OC(O)C(O)C(O[Si](C)(C)C)C1O	2104.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #5	C[Si](C)(C)OCC(O)C1OC(O)C(O)C(O)C1O[Si](C)(C)C	2098.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #6	C[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C)C(O)C(O)C1O	2101.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #7	C[Si](C)(C)OC(CO)C1OC(O)C(O[Si](C)(C)C)C(O)C1O	2107.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #8	C[Si](C)(C)OC(CO)C1OC(O)C(O)C(O[Si](C)(C)C)C1O	2090.5	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TMS,isomer #9	C[Si](C)(C)OC(CO)C1OC(O)C(O)C(O)C1O[Si](C)(C)C	2076.7	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O)C(O)C1O	2110.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #10	C[Si](C)(C)OCC(O)C1OC(O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2101.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #11	C[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2112.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #12	C[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2092.0	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #13	C[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2113.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #14	C[Si](C)(C)OC(CO)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2069.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #15	C[Si](C)(C)OC(CO)C1OC(O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2107.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #16	C[Si](C)(C)OC(CO)C1OC(O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2091.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #17	C[Si](C)(C)OC1OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2045.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #18	C[Si](C)(C)OC1OC(C(O)CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2061.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #19	C[Si](C)(C)OC1OC(C(O)CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2075.7	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)C(O[Si](C)(C)C)C(O)C1O	2101.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #20	C[Si](C)(C)OC1C(O)OC(C(O)CO)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2072.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)C(O)C(O[Si](C)(C)C)C1O	2074.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)C(O)C(O)C1O[Si](C)(C)C	2080.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #5	C[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2125.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #6	C[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2109.5	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #7	C[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2131.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #8	C[Si](C)(C)OCC(O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2093.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TMS,isomer #9	C[Si](C)(C)OCC(O)C1OC(O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2108.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2034.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #10	C[Si](C)(C)OCC(O)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2056.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #11	C[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2071.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #12	C[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2072.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #13	C[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2054.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #14	C[Si](C)(C)OC(CO)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2072.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #15	C[Si](C)(C)OC1OC(C(O)CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2054.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2023.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2028.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2032.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #5	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2035.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #6	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2009.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #7	C[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2057.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #8	C[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2059.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TMS,isomer #9	C[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2046.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2026.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2031.0	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2021.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2037.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TMS,isomer #5	C[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2036.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TMS,isomer #6	C[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2049.7	Semi standard non polar	33892256
D-altro-D-manno-Heptose,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C1OC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2060.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)C(O)C(O)C1O	2399.7	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)C(O)C(O)C1O	2376.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1OC(C(O)CO)C(O)C(O)C1O	2338.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(O)CO)C(O)C1O	2346.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(O)C(O)OC(C(O)CO)C1O	2350.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1C(O)C(O)C(O)OC1C(O)CO	2341.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)C(O)C(O)C1O	2571.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2523.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC1OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2511.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1OC(C(O)CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2531.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C1O	2517.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(O)CO)C(O)C1O[Si](C)(C)C(C)(C)C	2534.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1C(O)C(O)OC(C(O)CO)C1O[Si](C)(C)C(C)(C)C	2529.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2562.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2562.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2560.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2569.5	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2540.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2552.0	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2541.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2541.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	2730.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2736.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2742.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2751.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2743.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2753.5	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2759.0	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2734.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2712.1	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OC1OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2705.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1OC(C(O)CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2710.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2733.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1C(O)OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2704.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2731.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2710.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2742.7	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2754.0	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2750.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2755.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2757.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	2907.7	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2954.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(CO)C1OC(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)C1O	2936.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2922.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2934.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(CO)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2942.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC1OC(C(O)CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2897.6	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	2921.4	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	2915.7	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	2937.3	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2936.0	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2912.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC(O)C1OC(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)C1O	2933.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	2940.2	Semi standard non polar	33892256
D-altro-D-manno-Heptose,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC(O)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	2942.5	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(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)C1O	3102.9	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3102.5	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3118.7	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3124.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC(O)C1OC(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)C1O[Si](C)(C)C(C)(C)C	3111.0	Semi standard non polar	33892256
D-altro-D-manno-Heptose,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)C1OC(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)C1O[Si](C)(C)C(C)(C)C	3094.8	Semi standard non polar	33892256
D-altro-D-manno-Heptose,6TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C1OC(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)C1O[Si](C)(C)C(C)(C)C	3252.7	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (Non-derivatized) - 70eV, Positive	splash10-06tf-9800000000-ebb36ba1ac8e84960b7d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (6 TMS) - 70eV, Positive	splash10-004i-1011139000-065ae520299b5927f4fc	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_1) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-altro-D-manno-Heptose GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-11-04	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 10V, Positive-QTOF	splash10-03dl-2950000000-6dd2020f9b2ab517b3a6	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 20V, Positive-QTOF	splash10-03dl-5910000000-fdc8e1d97eb46adb50e3	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 40V, Positive-QTOF	splash10-0c0r-9300000000-061c4bac0a9c98f44b6f	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 10V, Positive-QTOF	splash10-03dl-2950000000-6dd2020f9b2ab517b3a6	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 20V, Positive-QTOF	splash10-03dl-5910000000-fdc8e1d97eb46adb50e3	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 40V, Positive-QTOF	splash10-0c0r-9300000000-061c4bac0a9c98f44b6f	2015-04-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 10V, Negative-QTOF	splash10-0a4j-4930000000-2b56904bb1b46ac9f71e	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 20V, Negative-QTOF	splash10-0a4m-8910000000-a34a96c41ed67b9115d1	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 40V, Negative-QTOF	splash10-052f-9200000000-f20e98d2287469373496	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 10V, Negative-QTOF	splash10-0a4j-4930000000-2b56904bb1b46ac9f71e	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 20V, Negative-QTOF	splash10-0a4m-8910000000-a34a96c41ed67b9115d1	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 40V, Negative-QTOF	splash10-052f-9200000000-f20e98d2287469373496	2015-04-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 10V, Negative-QTOF	splash10-0a4i-1090000000-9b83428ac695047c0d5f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 20V, Negative-QTOF	splash10-0a4i-9440000000-a750c30bea10ebd72331	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 40V, Negative-QTOF	splash10-052f-9000000000-9a575ae4e9ae6ec84b2c	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 10V, Positive-QTOF	splash10-03di-0190000000-603175ecf1022a33fe0e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 20V, Positive-QTOF	splash10-03dj-9620000000-5bed8a3ed1bed3c3115e	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-altro-D-manno-Heptose 40V, Positive-QTOF	splash10-0bvi-9000000000-7a51c5a1fbb9a14b4330	2021-09-22	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB001232

KNApSAcK ID

Not Available

Chemspider ID

214869

KEGG Compound ID

C06397

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

245622

PDB ID

Not Available

ChEBI ID

28723

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for D-altro-D-manno-Heptose (HMDB0029952)

MOL for HMDB0029952 (D-altro-D-manno-Heptose)

3D MOL for HMDB0029952 (D-altro-D-manno-Heptose)

3D SDF for HMDB0029952 (D-altro-D-manno-Heptose)

3D-SDF for HMDB0029952 (D-altro-D-manno-Heptose)

PDB for HMDB0029952 (D-altro-D-manno-Heptose)

3D PDB for HMDB0029952 (D-altro-D-manno-Heptose)

SMILES for HMDB0029952 (D-altro-D-manno-Heptose)

INCHI for HMDB0029952 (D-altro-D-manno-Heptose)

Structure for HMDB0029952 (D-altro-D-manno-Heptose)

3D Structure for HMDB0029952 (D-altro-D-manno-Heptose)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra