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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:48:48 UTC

Update Date

2022-03-07 02:53:17 UTC

HMDB ID

HMDB0032263

Secondary Accession Numbers

HMDB32263

Metabolite Identification

Common Name

Ethylene oxide/propylene oxide copolymer

Description

Ethylene oxide/propylene oxide copolymer, also known as poloxalene or SK and F-18667, belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups. Based on a literature review a significant number of articles have been published on Ethylene oxide/propylene oxide copolymer.

Structure

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

HMDB0032263
     RDKit          3D
Ethylene oxide/propylene oxide copolymer
 29 28  0  0  0  0  0  0  0  0999 V2000
   -4.4562    1.6771    0.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795    1.0551   -0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3301    0.4346    0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190   -0.1439   -0.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3498   -0.7256    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2242   -2.2101   -0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121   -0.0691   -0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314   -0.6244    0.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931   -0.0197   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4252   -0.5984    0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5284    0.0630   -0.1622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9010    2.1506    1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1475    0.9143    1.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0073    2.4986    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0538    0.2764   -0.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0562    1.8024   -1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6460   -0.2260    1.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7845    1.2888    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724   -0.6486    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959   -2.8302    0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534   -2.4619   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325   -2.4259   -1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899   -0.1183   -1.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9269    1.0262   -0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.1062   -1.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1336    1.0599   -0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3422   -0.4199    1.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5493   -1.6658    0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3661    1.0472   -0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  0
  7 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

HMDB0032263
     RDKit          3D
Ethylene oxide/propylene oxide copolymer
 29 28  0  0  0  0  0  0  0  0999 V2000
   -4.4562    1.6771    0.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795    1.0551   -0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3301    0.4346    0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190   -0.1439   -0.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3498   -0.7256    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2242   -2.2101   -0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121   -0.0691   -0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314   -0.6244    0.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931   -0.0197   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4252   -0.5984    0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5284    0.0630   -0.1622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9010    2.1506    1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1475    0.9143    1.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0073    2.4986    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0538    0.2764   -0.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0562    1.8024   -1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6460   -0.2260    1.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7845    1.2888    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724   -0.6486    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959   -2.8302    0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534   -2.4619   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325   -2.4259   -1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899   -0.1183   -1.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9269    1.0262   -0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.1062   -1.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1336    1.0599   -0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3422   -0.4199    1.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5493   -1.6658    0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3661    1.0472   -0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  0
  7 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

HEADER    PROTEIN                                 06-JUN-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-JUN-18         0                                  
HETATM    1  C   UNK     0      -7.667   0.292   0.000  0.00  0.00           C+0
ATOM      2  C     A     0      -6.333   1.062   0.000  0.00  0.00           C+0
ATOM      3  C     A     0      -4.999   0.292   0.000  0.00  0.00           C+0
ATOM      4  O     A     0      -3.686   1.041   0.000  0.00  0.00           O+0
HETATM    5  C     b     3      -2.353   0.271   0.000  0.00  0.00           C+0
HETATM    6  C     b     3      -0.998   1.062   0.000  0.00  0.00           C+0
HETATM    7  O     b     3       0.335   0.292   0.000  0.00  0.00           O+0
ATOM      8  C     A     1       1.669   1.062   0.000  0.00  0.00           C+0
ATOM      9  C     A     1       3.003   0.292   0.000  0.00  0.00           C+0
ATOM     10  O     A     1       4.336   1.062   0.000  0.00  0.00           O+0
HETATM   11  H   UNK     0       5.670   0.292   0.000  0.00  0.00           H+0
HETATM   12  C     b     3      -2.332  -1.248   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   12                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10                                                            
CONECT   12    5                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END

COMPND    HMDB0032263
HETATM    1  C1  UNL     1      -4.456   1.677   0.593  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.480   1.055  -0.382  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.330   0.435   0.380  1.00  0.00           C  
HETATM    4  O1  UNL     1      -1.419  -0.144  -0.501  1.00  0.00           O  
HETATM    5  C4  UNL     1      -0.350  -0.726   0.129  1.00  0.00           C  
HETATM    6  C5  UNL     1      -0.224  -2.210  -0.193  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.912  -0.069  -0.393  1.00  0.00           C  
HETATM    8  O2  UNL     1       2.031  -0.624   0.216  1.00  0.00           O  
HETATM    9  C7  UNL     1       3.193  -0.020  -0.264  1.00  0.00           C  
HETATM   10  C8  UNL     1       4.425  -0.598   0.376  1.00  0.00           C  
HETATM   11  O3  UNL     1       5.528   0.063  -0.162  1.00  0.00           O  
HETATM   12  H1  UNL     1      -3.901   2.151   1.418  1.00  0.00           H  
HETATM   13  H2  UNL     1      -5.148   0.914   1.006  1.00  0.00           H  
HETATM   14  H3  UNL     1      -5.007   2.499   0.073  1.00  0.00           H  
HETATM   15  H4  UNL     1      -4.054   0.276  -0.944  1.00  0.00           H  
HETATM   16  H5  UNL     1      -3.056   1.802  -1.064  1.00  0.00           H  
HETATM   17  H6  UNL     1      -2.646  -0.226   1.185  1.00  0.00           H  
HETATM   18  H7  UNL     1      -1.784   1.289   0.862  1.00  0.00           H  
HETATM   19  H8  UNL     1      -0.372  -0.649   1.225  1.00  0.00           H  
HETATM   20  H9  UNL     1      -0.796  -2.830   0.510  1.00  0.00           H  
HETATM   21  H10 UNL     1       0.853  -2.462  -0.024  1.00  0.00           H  
HETATM   22  H11 UNL     1      -0.433  -2.426  -1.251  1.00  0.00           H  
HETATM   23  H12 UNL     1       0.990  -0.118  -1.487  1.00  0.00           H  
HETATM   24  H13 UNL     1       0.927   1.026  -0.137  1.00  0.00           H  
HETATM   25  H14 UNL     1       3.204  -0.106  -1.374  1.00  0.00           H  
HETATM   26  H15 UNL     1       3.134   1.060  -0.034  1.00  0.00           H  
HETATM   27  H16 UNL     1       4.342  -0.420   1.466  1.00  0.00           H  
HETATM   28  H17 UNL     1       4.549  -1.666   0.201  1.00  0.00           H  
HETATM   29  H18 UNL     1       5.366   1.047  -0.130  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3   15   16
CONECT    3    4   17   18
CONECT    4    5
CONECT    5    6    7   19
CONECT    6   20   21   22
CONECT    7    8   23   24
CONECT    8    9
CONECT    9   10   25   26
CONECT   10   11   27   28
CONECT   11   29
END

HMDB0032263
     RDKit          3D
Ethylene oxide/propylene oxide copolymer
 29 28  0  0  0  0  0  0  0  0999 V2000
   -4.4562    1.6771    0.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795    1.0551   -0.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3301    0.4346    0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190   -0.1439   -0.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3498   -0.7256    0.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2242   -2.2101   -0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9121   -0.0691   -0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0314   -0.6244    0.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1931   -0.0197   -0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4252   -0.5984    0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5284    0.0630   -0.1622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9010    2.1506    1.4181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1475    0.9143    1.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0073    2.4986    0.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0538    0.2764   -0.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0562    1.8024   -1.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6460   -0.2260    1.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7845    1.2888    0.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3724   -0.6486    1.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7959   -2.8302    0.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8534   -2.4619   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4325   -2.4259   -1.2513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9899   -0.1183   -1.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9269    1.0262   -0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2042   -0.1062   -1.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1336    1.0599   -0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3422   -0.4199    1.4661 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5493   -1.6658    0.2008 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3661    1.0472   -0.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  6 22  1  0
  7 23  1  0
  7 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
Oxypropylene polymer, oxyethylene	HMDB
Poloxalene	HMDB
Polyoxyethylene polyoxypropylene polyoxyethylene polymer	HMDB
Proxanol	HMDB
SK And F-18667	HMDB
Tergitol	HMDB
Oxyethylene oxypropylene polymer	HMDB
Poloxalene 2930	HMDB
Polymer, oxyethylene oxypropylene	HMDB
SK And F18667	HMDB
Therabloat	HMDB
Bloat guard	HMDB
SK And F 18667	HMDB

Chemical Formula

(C₃H₆O)b(C₂H₄O)a(C₂H₄O)aCH₄

Average Molecular Weight

Not Available

Monoisotopic Molecular Weight

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

9003-11-6

SMILES

[H]OCCOCC(C)OCCC

InChI Identifier

InChI=1S/C8H18O3/c1-3-5-11-8(2)7-10-6-4-9/h8-9H,3-7H2,1-2H3

InChI Key

CTKXFMQHOOWWEB-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Ethers

Direct Parent

Dialkyl ethers

Alternative Parents

Substituents

Dialkyl ether
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

Cellular substructure

Cytoplasm (HMDB: HMDB0032263)
Extracellular (HMDB: HMDB0032263)

Source

Exogenous

Exogenous (HMDB: HMDB0032263)

Endogenous

Endogenous (HMDB: HMDB0032263)

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	0.62	ALOGPS
logS	-0.72	ALOGPS
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DeepCCS	[M+H]+	137.826	30932474
DeepCCS	[M-H]-	134.992	30932474
DeepCCS	[M-2H]-	171.499	30932474
DeepCCS	[M+Na]+	147.037	30932474

Predicted Kovats Retention Indices

Not Available

Spectra

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 10V, Positive-QTOF	splash10-03di-2900000000-d31b4043dcdd6638c38b	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 20V, Positive-QTOF	splash10-03dl-9500000000-fd9aba000a2dfcd6315e	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 40V, Positive-QTOF	splash10-0006-9000000000-9b6a3c3c82897f968fe9	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 10V, Negative-QTOF	splash10-03di-1900000000-e7ae3d452ae54054192b	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 20V, Negative-QTOF	splash10-03xr-7900000000-e78d2db301300dc669f8	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 40V, Negative-QTOF	splash10-03di-9100000000-a53d58ba607dce6ae957	2019-02-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 10V, Negative-QTOF	splash10-0pb9-9300000000-aef0253d9fc8ca706930	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 20V, Negative-QTOF	splash10-0a4i-9000000000-2ce26aed69ea47fa1245	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 40V, Negative-QTOF	splash10-0a4l-9000000000-2284337162ab09bcbfd2	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 10V, Positive-QTOF	splash10-0006-9200000000-b8ee61899370d3b7ba50	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 20V, Positive-QTOF	splash10-0006-9100000000-053441c41b85aad3ba0b	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Ethylene oxide/propylene oxide copolymer 40V, Positive-QTOF	splash10-0006-9000000000-d894474dc2a549c806db	2021-09-23	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	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

FDB009380

KNApSAcK ID

Not Available

Chemspider ID

19115379

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

22895896

PDB ID

Not Available

ChEBI ID

32026

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1356261

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Guan Y, Huang J, Zuo L, Xu J, Si L, Qiu J, Li G: Effect of pluronic P123 and F127 block copolymer on P-glycoprotein transport and CYP3A metabolism. Arch Pharm Res. 2011 Oct;34(10):1719-28. doi: 10.1007/s12272-011-1016-0. Epub 2011 Nov 12. [PubMed:22076772 ]
Xia XJ, Tao ZH, Ren Y, Wang RY, Liu YL: [Preparation and in vitro study of buagafuran solid dispersions]. Yao Xue Xue Bao. 2008 May;43(5):548-52. [PubMed:18717346 ]
Grau U: Chemical stability of insulin in a delivery system environment. Diabetologia. 1985 Jul;28(7):458-63. [PubMed:3899829 ]
Dumortier G, El Kateb N, Sahli M, Kedjar S, Boulliat A, Chaumeil JC: Development of a thermogelling ophthalmic formulation of cysteine. Drug Dev Ind Pharm. 2006 Jan;32(1):63-72. [PubMed:16455605 ]
Zhang S, Li N, Zheng L, Li X, Gao Y, Yu L: Aggregation behavior of pluronic triblock copolymer in 1-butyl-3-methylimidazolium type ionic liquids. J Phys Chem B. 2008 Aug 21;112(33):10228-33. doi: 10.1021/jp8035132. Epub 2008 Jul 26. [PubMed:18661925 ]
Cunha-Filho MS, Alvarez-Lorenzo C, Martinez-Pacheco R, Landin M: Temperature-sensitive gels for intratumoral delivery of beta-lapachone: effect of cyclodextrins and ethanol. ScientificWorldJournal. 2012;2012:126723. doi: 10.1100/2012/126723. Epub 2012 Apr 24. [PubMed:22629119 ]
Zhang X, Liu C, Yuan Y, Zhang S, Shan X, Sheng Y, Xu F: Key parameters affecting the initial leaky effect of hemoglobin-loaded nanoparticles as blood substitutes. J Mater Sci Mater Med. 2008 Jun;19(6):2463-70. doi: 10.1007/s10856-007-3358-1. Epub 2008 Jan 25. [PubMed:18219559 ]
Qi H, Li L, Huang C, Li W, Wu C: Optimization and physicochemical characterization of thermosensitive poloxamer gel containing puerarin for ophthalmic use. Chem Pharm Bull (Tokyo). 2006 Nov;54(11):1500-7. [PubMed:17077546 ]
Nambam JS, Philip J: Thermogelling properties of triblock copolymers in the presence of hydrophilic Fe3O4 nanoparticles and surfactants. Langmuir. 2012 Aug 21;28(33):12044-53. doi: 10.1021/la302310y. Epub 2012 Aug 9. [PubMed:22845748 ]
El-Houssieny BM, Hamouda HM: Formulation and evaluation of clotrimazole from pluronic F127 gels. Drug Discov Ther. 2010 Feb;4(1):33-43. [PubMed:22491150 ]
Yamaoka T, Takahashi Y, Fujisato T, Lee CW, Tsuji T, Ohta T, Murakami A, Kimura Y: Novel adhesion prevention membrane based on a bioresorbable copoly(ester-ether) comprised of poly-L-lactide and Pluronic: in vitro and in vivo evaluations. J Biomed Mater Res. 2001 Mar 15;54(4):470-9. [PubMed:11426591 ]
Zhao L, Du J, Duan Y, Zang Y, Zhang H, Yang C, Cao F, Zhai G: Curcumin loaded mixed micelles composed of Pluronic P123 and F68: preparation, optimization and in vitro characterization. Colloids Surf B Biointerfaces. 2012 Sep 1;97:101-8. doi: 10.1016/j.colsurfb.2012.04.017. Epub 2012 Apr 24. [PubMed:22609589 ]
(). EAFUS: Everything Added to Food in the United States.. .

Showing metabocard for Ethylene oxide/propylene oxide copolymer (HMDB0032263)

MOL for HMDB0032263 (Ethylene oxide/propylene oxide copolymer)

3D MOL for HMDB0032263 (Ethylene oxide/propylene oxide copolymer)

3D SDF for HMDB0032263 (Ethylene oxide/propylene oxide copolymer)

3D-SDF for HMDB0032263 (Ethylene oxide/propylene oxide copolymer)

PDB for HMDB0032263 (Ethylene oxide/propylene oxide copolymer)

3D PDB for HMDB0032263 (Ethylene oxide/propylene oxide copolymer)

SMILES for HMDB0032263 (Ethylene oxide/propylene oxide copolymer)

INCHI for HMDB0032263 (Ethylene oxide/propylene oxide copolymer)

Structure for HMDB0032263 (Ethylene oxide/propylene oxide copolymer)

3D Structure for HMDB0032263 (Ethylene oxide/propylene oxide copolymer)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

MS/MS Spectra

NMR Spectra