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Record Information

Version

5.0

Status

Detected but not Quantified

Creation Date

2021-09-11 06:50:36 UTC

Update Date

2021-09-26 23:01:03 UTC

HMDB ID

HMDB0249913

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Polyribosylribitolphosphate

Description

Polyribosylribitolphosphate belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit. Based on a literature review a significant number of articles have been published on Polyribosylribitolphosphate. This compound has been identified in human blood as reported by (PMID: 31557052 ). Polyribosylribitolphosphate is not a naturally occurring metabolite and is only found in those individuals exposed to this compound or its derivatives. Technically Polyribosylribitolphosphate is part of the human exposome. The exposome can be defined as the collection of all the exposures of an individual in a lifetime and how those exposures relate to health. An individual's exposure begins before birth and includes insults from environmental and occupational sources.

Structure

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

  Mrv1652309112108502D          

 14 13  0  0  0  0            999 V2000
    0.5230    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0954    0.7145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099    1.1270    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    5.5243    1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3974    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6664   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9520    1.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.1105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1914    0.7145    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
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  4 11  1  0  0  0  0
  3 12  1  0  0  0  0
  2 13  1  0  0  0  0
  1 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0249913

> <DATABASE_NAME>
hmdb

> <SMILES>
OCC(O)C(O)C(O)COP(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)

> <INCHI_KEY>
VJDOAZKNBQCAGE-UHFFFAOYSA-N

> <FORMULA>
C5H13O8P

> <MOLECULAR_WEIGHT>
232.125

> <EXACT_MASS>
232.034804377

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
27

> <JCHEM_AVERAGE_POLARIZABILITY>
18.84059679079576

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2,3,4,5-tetrahydroxypentyl)oxy]phosphonic acid

> <ALOGPS_LOGP>
-2.14

> <JCHEM_LOGP>
-3.2232499379999995

> <ALOGPS_LOGS>
-0.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.517789357699705

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.4919789137158341

> <JCHEM_PKA_STRONGEST_BASIC>
-2.974203813611499

> <JCHEM_POLAR_SURFACE_AREA>
147.68

> <JCHEM_REFRACTIVITY>
43.31399999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.85e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2,3,4,5-tetrahydroxypentyl)oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-21         0                                  
HETATM    1  C   UNK     0       0.976   2.104   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.644   2.104   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.977   1.334   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       6.311   2.104   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       7.645   1.334   0.000  0.00  0.00           O+0
HETATM    7  P   UNK     0       8.978   2.104   0.000  0.00  0.00           P+0
HETATM    8  O   UNK     0      10.312   2.874   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       8.208   3.437   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       9.748   0.770   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       4.977  -0.206   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       3.644   3.644   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0       2.310  -0.206   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0      -0.357   1.334   0.000  0.00  0.00           O+0
CONECT    1    2   14                                                       
CONECT    2    1    3   13                                                  
CONECT    3    2    4   12                                                  
CONECT    4    3    5   11                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7                                                            
CONECT   11    4                                                            
CONECT   12    3                                                            
CONECT   13    2                                                            
CONECT   14    1                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

COMPND    HMDB0250795
HETATM    1  O1  UNL     1       3.294   1.009   1.883  1.00  0.00           O  
HETATM    2  P1  UNL     1       3.533   0.197   0.638  1.00  0.00           P  
HETATM    3  O2  UNL     1       4.978  -0.652   0.688  1.00  0.00           O  
HETATM    4  O3  UNL     1       3.503   1.286  -0.671  1.00  0.00           O  
HETATM    5  O4  UNL     1       2.208  -0.868   0.473  1.00  0.00           O  
HETATM    6  C1  UNL     1       1.141  -0.139  -0.084  1.00  0.00           C  
HETATM    7  C2  UNL     1      -0.022  -1.079  -0.227  1.00  0.00           C  
HETATM    8  O5  UNL     1       0.373  -2.141  -1.054  1.00  0.00           O  
HETATM    9  C3  UNL     1      -1.191  -0.335  -0.830  1.00  0.00           C  
HETATM   10  O6  UNL     1      -2.279  -1.211  -1.024  1.00  0.00           O  
HETATM   11  C4  UNL     1      -1.663   0.701   0.164  1.00  0.00           C  
HETATM   12  O7  UNL     1      -2.011   0.108   1.384  1.00  0.00           O  
HETATM   13  C5  UNL     1      -2.840   1.489  -0.395  1.00  0.00           C  
HETATM   14  O8  UNL     1      -3.884   0.614  -0.583  1.00  0.00           O  
HETATM   15  H1  UNL     1       4.936  -1.545   0.294  1.00  0.00           H  
HETATM   16  H2  UNL     1       4.353   1.762  -0.693  1.00  0.00           H  
HETATM   17  H3  UNL     1       1.470   0.232  -1.080  1.00  0.00           H  
HETATM   18  H4  UNL     1       0.920   0.737   0.529  1.00  0.00           H  
HETATM   19  H5  UNL     1      -0.329  -1.449   0.762  1.00  0.00           H  
HETATM   20  H6  UNL     1       0.032  -3.008  -0.725  1.00  0.00           H  
HETATM   21  H7  UNL     1      -0.892   0.192  -1.752  1.00  0.00           H  
HETATM   22  H8  UNL     1      -1.967  -2.115  -1.286  1.00  0.00           H  
HETATM   23  H9  UNL     1      -0.890   1.454   0.372  1.00  0.00           H  
HETATM   24  H10 UNL     1      -2.860  -0.394   1.308  1.00  0.00           H  
HETATM   25  H11 UNL     1      -2.482   1.904  -1.372  1.00  0.00           H  
HETATM   26  H12 UNL     1      -3.062   2.331   0.271  1.00  0.00           H  
HETATM   27  H13 UNL     1      -4.366   0.922  -1.415  1.00  0.00           H  
CONECT    1    2    2
CONECT    2    3    4    5
CONECT    3   15
CONECT    4   16
CONECT    5    6
CONECT    6    7   17   18
CONECT    7    8    9   19
CONECT    8   20
CONECT    9   10   11   21
CONECT   10   22
CONECT   11   12   13   23
CONECT   12   24
CONECT   13   14   25   26
CONECT   14   27
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Polyribosylribitolphosphoric acid	Generator
Polyribitol phosphate	HMDB
Polyribose-ribitol phosphate	HMDB
[(2,3,4,5-Tetrahydroxypentyl)oxy]phosphonate	HMDB
Polyribosylribitolphosphate	MeSH

Chemical Formula

C₅H₁₃O₈P

Average Molecular Weight

232.125

Monoisotopic Molecular Weight

232.034804377

IUPAC Name

[(2,3,4,5-tetrahydroxypentyl)oxy]phosphonic acid

Traditional Name

(2,3,4,5-tetrahydroxypentyl)oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

OCC(O)C(O)C(O)COP(O)(O)=O

InChI Identifier

InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)

InChI Key

VJDOAZKNBQCAGE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monosaccharide phosphates. These are monosaccharides comprising a phosphated group linked to the carbohydrate unit.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Monosaccharide phosphates

Alternative Parents

Substituents

Pentose monosaccharide
Monosaccharide phosphate
Monoalkyl phosphate
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Secondary alcohol
Polyol
Organic oxide
Hydrocarbon derivative
Primary alcohol
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Source

Exogenous

Exogenous (PMID: 31557052)

Process

Not Available

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
logP	-2.1	ALOGPS
logP	-3.2	ChemAxon
logS	-0.91	ALOGPS
pKa (Strongest Acidic)	1.49	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	147.68 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	43.31 m³·mol⁻¹	ChemAxon
Polarizability	18.84 Å³	ChemAxon
Number of Rings	0	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
DeepCCS	[M+H]+	139.77	30932474
DeepCCS	[M-H]-	135.942	30932474
DeepCCS	[M-2H]-	173.091	30932474
DeepCCS	[M+Na]+	148.694	30932474
AllCCS	[M+H]+	150.1	32859911
AllCCS	[M+H-H2O]+	146.7	32859911
AllCCS	[M+NH4]+	153.3	32859911
AllCCS	[M+Na]+	154.2	32859911
AllCCS	[M-H]-	141.7	32859911
AllCCS	[M+Na-2H]-	142.8	32859911
AllCCS	[M+HCOO]-	144.0	32859911

Predicted Kovats Retention Indices

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Polyribosylribitolphosphate,1TMS,isomer #4	C[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O)CO	2183.0	Semi standard non polar	33892256
Polyribosylribitolphosphate,1TMS,isomer #4	C[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O)CO	1940.5	Standard non polar	33892256
Polyribosylribitolphosphate,1TMS,isomer #4	C[Si](C)(C)OC(COP(=O)(O)O)C(O)C(O)CO	3755.3	Standard polar	33892256
Polyribosylribitolphosphate,2TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O	2195.0	Semi standard non polar	33892256
Polyribosylribitolphosphate,2TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O	2069.3	Standard non polar	33892256
Polyribosylribitolphosphate,2TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O	3275.4	Standard polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #11	C[Si](C)(C)OC(CO)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2208.4	Semi standard non polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #11	C[Si](C)(C)OC(CO)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2110.4	Standard non polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #11	C[Si](C)(C)OC(CO)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2577.6	Standard polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C	2216.2	Semi standard non polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C	2095.4	Standard non polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)COP(=O)(O)O[Si](C)(C)C	2755.7	Standard polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #4	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C	2193.8	Semi standard non polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #4	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C	2069.3	Standard non polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #4	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(COP(=O)(O)O)O[Si](C)(C)C	2942.0	Standard polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #7	C[Si](C)(C)OCC(O)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2186.2	Semi standard non polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #7	C[Si](C)(C)OCC(O)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2138.5	Standard non polar	33892256
Polyribosylribitolphosphate,3TMS,isomer #7	C[Si](C)(C)OCC(O)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2591.0	Standard polar	33892256
Polyribosylribitolphosphate,4TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2182.6	Semi standard non polar	33892256
Polyribosylribitolphosphate,4TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2110.8	Standard non polar	33892256
Polyribosylribitolphosphate,4TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2552.4	Standard polar	33892256
Polyribosylribitolphosphate,4TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2192.0	Semi standard non polar	33892256
Polyribosylribitolphosphate,4TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2137.6	Standard non polar	33892256
Polyribosylribitolphosphate,4TMS,isomer #4	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2437.5	Standard polar	33892256
Polyribosylribitolphosphate,4TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2176.1	Semi standard non polar	33892256
Polyribosylribitolphosphate,4TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2089.4	Standard non polar	33892256
Polyribosylribitolphosphate,4TMS,isomer #8	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2534.8	Standard polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2135.3	Semi standard non polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2118.1	Standard non polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O)O[Si](C)(C)C)O[Si](C)(C)C	2406.2	Standard polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2146.0	Semi standard non polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2154.4	Standard non polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #2	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C	2300.6	Standard polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2164.8	Semi standard non polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2153.5	Standard non polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #3	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2320.3	Standard polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #4	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2152.4	Semi standard non polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #4	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2149.6	Standard non polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #4	C[Si](C)(C)OCC(O)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2294.2	Standard polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #5	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2154.9	Semi standard non polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #5	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2143.5	Standard non polar	33892256
Polyribosylribitolphosphate,5TMS,isomer #5	C[Si](C)(C)OC(CO)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2299.8	Standard polar	33892256
Polyribosylribitolphosphate,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2155.7	Semi standard non polar	33892256
Polyribosylribitolphosphate,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2176.2	Standard non polar	33892256
Polyribosylribitolphosphate,6TMS,isomer #1	C[Si](C)(C)OCC(O[Si](C)(C)C)C(O[Si](C)(C)C)C(COP(=O)(O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C	2227.0	Standard polar	33892256
Polyribosylribitolphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)COP(=O)(O)O	2430.5	Semi standard non polar	33892256
Polyribosylribitolphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)COP(=O)(O)O	2233.9	Standard non polar	33892256
Polyribosylribitolphosphate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(O)COP(=O)(O)O	3729.9	Standard polar	33892256
Polyribosylribitolphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)COP(=O)(O)O	2446.6	Semi standard non polar	33892256
Polyribosylribitolphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)COP(=O)(O)O	2198.1	Standard non polar	33892256
Polyribosylribitolphosphate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)COP(=O)(O)O	3679.1	Standard polar	33892256
Polyribosylribitolphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC(O)C(O)C(O)CO	2401.2	Semi standard non polar	33892256
Polyribosylribitolphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC(O)C(O)C(O)CO	2198.5	Standard non polar	33892256
Polyribosylribitolphosphate,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OP(=O)(O)OCC(O)C(O)C(O)CO	3507.4	Standard polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O	2625.9	Semi standard non polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O	2513.5	Standard non polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(O)COP(=O)(O)O	3339.3	Standard polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2626.7	Semi standard non polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	2455.1	Standard non polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(COP(=O)(O)O[Si](C)(C)C(C)(C)C)C(O)C(O)CO	3115.9	Standard polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	2631.2	Semi standard non polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	2448.0	Standard non polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(COP(=O)(O)O)O[Si](C)(C)C(C)(C)C	3307.9	Standard polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2637.8	Semi standard non polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2462.8	Standard non polar	33892256
Polyribosylribitolphosphate,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	3088.7	Standard polar	33892256
Polyribosylribitolphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O	2763.9	Semi standard non polar	33892256
Polyribosylribitolphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O	2696.6	Standard non polar	33892256
Polyribosylribitolphosphate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O	3095.6	Standard polar	33892256
Polyribosylribitolphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2798.1	Semi standard non polar	33892256
Polyribosylribitolphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2636.0	Standard non polar	33892256
Polyribosylribitolphosphate,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2944.3	Standard polar	33892256
Polyribosylribitolphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2798.0	Semi standard non polar	33892256
Polyribosylribitolphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2665.8	Standard non polar	33892256
Polyribosylribitolphosphate,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OCC(O)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2972.8	Standard polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2981.3	Semi standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2786.3	Standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC(CO)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2766.2	Standard polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2956.5	Semi standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2784.5	Standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OC(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)CO	2756.0	Standard polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2984.6	Semi standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2810.0	Standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O)O[Si](C)(C)C(C)(C)C	2835.9	Standard polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2990.6	Semi standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2822.7	Standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2856.6	Standard polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2976.3	Semi standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2795.8	Standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2837.6	Standard polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2972.3	Semi standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2772.5	Standard non polar	33892256
Polyribosylribitolphosphate,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2744.2	Standard polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3179.0	Semi standard non polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2977.1	Standard non polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2816.3	Standard polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3170.0	Semi standard non polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2954.1	Standard non polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2755.3	Standard polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3175.4	Semi standard non polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2966.2	Standard non polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC(O[Si](C)(C)C(C)(C)C)C(O)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2771.5	Standard polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3175.7	Semi standard non polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2962.5	Standard non polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OCC(O)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2749.8	Standard polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3155.9	Semi standard non polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2939.9	Standard non polar	33892256
Polyribosylribitolphosphate,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(CO)C(O[Si](C)(C)C(C)(C)C)C(COP(=O)(O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2744.4	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (Non-derivatized) - 70eV, Positive	splash10-03dm-9300000000-117cced006544e6085b8	2021-09-23	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_3_1) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_3_2) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_3_5) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_3_6) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_3_8) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_3_9) - 70eV, Positive	Not Available	2021-11-03	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Polyribosylribitolphosphate GC-MS (TMS_3_10) - 70eV, Positive	Not Available	2021-11-03	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 - Polyribosylribitolphosphate 10V, Negative-QTOF	splash10-003r-8390000000-50e990d04a5a1bb0ebaa	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polyribosylribitolphosphate 20V, Negative-QTOF	splash10-002b-9000000000-cf50c9fa83b1ec096a67	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polyribosylribitolphosphate 40V, Negative-QTOF	splash10-004i-9000000000-e1f5b79920ef4f1ff109	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polyribosylribitolphosphate 10V, Positive-QTOF	splash10-015a-4970000000-ff19d986f2c9862d58e0	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polyribosylribitolphosphate 20V, Positive-QTOF	splash10-0002-9100000000-52d96ead7833972091b9	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Polyribosylribitolphosphate 40V, Positive-QTOF	splash10-0002-9000000000-1811ed67b1322c8ae42e	2021-10-12	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Blood

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	31557052	details

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

Not Available

KNApSAcK ID

Not Available

Chemspider ID

2133

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

2219

PDB ID

Not Available

ChEBI ID

Not Available

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

Barupal DK, Fiehn O: Generating the Blood Exposome Database Using a Comprehensive Text Mining and Database Fusion Approach. Environ Health Perspect. 2019 Sep;127(9):97008. doi: 10.1289/EHP4713. Epub 2019 Sep 26. [PubMed:31557052 ]

Showing metabocard for Polyribosylribitolphosphate (HMDB0249913)

MOL for HMDB0249913 (Polyribosylribitolphosphate)

3D MOL for HMDB0249913 (Polyribosylribitolphosphate)

3D SDF for HMDB0249913 (Polyribosylribitolphosphate)

3D-SDF for HMDB0249913 (Polyribosylribitolphosphate)

PDB for HMDB0249913 (Polyribosylribitolphosphate)

3D PDB for HMDB0249913 (Polyribosylribitolphosphate)

SMILES for HMDB0249913 (Polyribosylribitolphosphate)

INCHI for HMDB0249913 (Polyribosylribitolphosphate)

Structure for HMDB0249913 (Polyribosylribitolphosphate)

3D Structure for HMDB0249913 (Polyribosylribitolphosphate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Derivatized

GC-MS Spectra

MS/MS Spectra