NP-MRD: Showing NP-Card for chimyl alcohol (NP0159462)

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Record Information

Version

2.0

Created at

2022-09-02 17:13:00 UTC

Updated at

2022-09-02 17:13:00 UTC

NP-MRD ID

NP0159462

Secondary Accession Numbers

None

Natural Product Identification

Common Name

chimyl alcohol

Description

1-O-hexadecyl-sn-glycerol, also known as chimyl alcohol or glycerol hexadecyl ether, belongs to the class of organic compounds known as monoalkylglycerols. These are glycerolipids containing exactly one aliphatic chain linked to the glycerol moiety. This chain is the only one linked to the glycerol. Thus, 1-O-hexadecyl-sn-glycerol is considered to be a monoradylglycerol. chimyl alcohol is found in Aplysia kurodai and Tritoniella belli. chimyl alcohol was first documented in 2003 (PMID: 12626405). Based on a literature review a small amount of articles have been published on 1-O-hexadecyl-sn-glycerol (PMID: 31353521) (PMID: 16369049).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 62 61  0  0  0  0  0  0  0  0999 V2000
    6.0785   -4.0854   -0.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2325   -3.9301    0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2655   -2.7808    0.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9489   -1.4577    0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8319   -0.4027    0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4055    0.9645    0.3764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3016    1.9744    0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3424    1.7168   -0.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2969    2.8250   -0.7478 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    2.6964   -1.8247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7239    3.8168   -1.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4088    3.7692   -0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1020    2.4396   -0.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1158    2.2753   -1.3152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8356    0.9442   -1.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5585    0.8304    0.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2097   -0.3892    0.2343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3874   -1.4838    0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2615   -2.7294    0.3044 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4159   -3.8294    0.2389 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0238   -2.6473    1.5965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1761   -2.5534    2.6821 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522   -4.0476    0.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9552   -3.2591   -1.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9083   -5.0331   -0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045   -4.8599    1.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8121   -3.8778    1.8618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949   -2.7342    1.7726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5582   -2.9191    0.0064 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5308   -1.3777   -0.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5903   -1.1615    1.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2039   -0.6870   -0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715   -0.4116    1.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9746    1.0494   -0.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1158    1.2199    1.1802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6999    1.9581    1.2537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7675    2.9780    0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8490    0.7325   -0.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827    1.7613   -1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8094    3.7791   -0.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8720    2.7494    0.2688 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7984    2.7792   -2.8170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409    1.7026   -1.8430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1759    4.7985   -1.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4559    3.8487   -2.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7232    3.9126    0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1552    4.6082   -0.2981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3503    1.6235   -0.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6017    2.4151    0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5414    2.2121   -2.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7825    3.1365   -1.3038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5568    0.8482   -1.9709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0644    0.1595   -1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2602    1.6867    0.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8890    0.8796    1.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7977   -1.6059   -0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6988   -1.4875    1.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9714   -2.7783   -0.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5055   -4.2974    1.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7124   -1.7880    1.5225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6747   -3.5532    1.6913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6519   -2.9234    3.4612 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
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  6 34  1  0
  6 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 18 56  1  0
 18 57  1  0
 19 58  1  6
 20 59  1  0
 21 60  1  0
 21 61  1  0
 22 62  1  0
M  END


  Mrv1652309022219132D          

 22 21  0  0  1  0            999 V2000
   10.4230    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5664    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2809    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9954    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7099    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4243    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1388    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8533    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5677    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2822    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    6.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5690    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2835    6.8427    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.2835    7.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7124    6.8427    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  1  0  0  0  0
  8  9  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
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0159462

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCOC[C@@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3/t19-/m0/s1

> <INCHI_KEY>
OOWQBDFWEXAXPB-IBGZPJMESA-N

> <FORMULA>
C19H40O3

> <MOLECULAR_WEIGHT>
316.526

> <EXACT_MASS>
316.297745148

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
62

> <JCHEM_AVERAGE_POLARIZABILITY>
42.75009211507381

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S)-3-(hexadecyloxy)propane-1,2-diol

> <ALOGPS_LOGP>
5.94

> <JCHEM_LOGP>
5.462835475666667

> <ALOGPS_LOGS>
-5.37

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.565284452956789

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.641531719241463

> <JCHEM_PKA_STRONGEST_BASIC>
-2.968192564799466

> <JCHEM_POLAR_SURFACE_AREA>
49.69

> <JCHEM_REFRACTIVITY>
94.35289999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.35e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
chimyl alcohol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0      19.456  12.773   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.790  12.003   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      22.124  12.773   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      23.457  12.003   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      24.791  12.773   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      26.125  12.003   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      27.458  12.773   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      28.792  12.003   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      30.126  12.773   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      31.459  12.003   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      32.793  12.773   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      34.127  12.003   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      35.460  12.773   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      36.794  12.003   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      38.128  12.773   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      39.462  12.003   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      40.795  12.773   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      42.129  12.003   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      43.463  12.773   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      43.463  14.313   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      44.796  12.003   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      46.130  12.773   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22                                                       
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END

View in JSmol

Synonyms

Value	Source
1-O-Hexadecylglycerol	ChEBI
Chimyl alcohol	ChEBI
Glycerol hexadecyl ether	ChEBI
Chimyl alcohol, (+)-isomer	MeSH
Chimyl alcohol, (+-)-isomer	MeSH
Testriol	MeSH
alpha-Hexadecylglyceryl ether	MeSH
Glyceryl-1-palmityl ether	MeSH

Chemical Formula

C₁₉H₄₀O₃

Average Mass

316.5260 Da

Monoisotopic Mass

316.29775 Da

IUPAC Name

(2S)-3-(hexadecyloxy)propane-1,2-diol

Traditional Name

chimyl alcohol

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCOC[C@@H](O)CO

InChI Identifier

InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-18-19(21)17-20/h19-21H,2-18H2,1H3/t19-/m0/s1

InChI Key

OOWQBDFWEXAXPB-IBGZPJMESA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Aplysia kurodai	LOTUS Database	35616633
Tritoniella belli	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monoalkylglycerols. These are glycerolipids containing exactly one aliphatic chain linked to the glycerol moiety. This chain is the only one linked to the glycerol.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Monoradylglycerols

Direct Parent

Monoalkylglycerols

Alternative Parents

Substituents

Monoalkylglycerol
1-o-alkylglycerol
Glycerol ether
Secondary alcohol
1,2-diol
Ether
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

1-O-alkyl-sn-glycerol (CHEBI:34115 )
1-O-palmitylglycerol (CHEBI:34115 )

Physical Properties

State

Not Available

Experimental 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

Predicted Properties

Property	Value	Source
logP	5.94	ALOGPS
logP	5.46	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Acidic)	13.64	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	49.69 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	94.35 m³·mol⁻¹	ChemAxon
Polarizability	42.75 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8623904

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10448487

PDB ID

Not Available

ChEBI ID

34115

Good Scents ID

rw1300371

References

General References

Wuhrer M, Grimm C, Zahringer U, Dennis RD, Berkefeld CM, Idris MA, Geyer R: A novel GlcNAcalpha1-HPO3-6Gal(1-1)ceramide antigen and alkylated inositol-phosphoglycerolipids expressed by the liver fluke Fasciola hepatica. Glycobiology. 2003 Feb;13(2):129-37. doi: 10.1093/glycob/cwg005. Epub 2002 Oct 30. [PubMed:12626405 ]
Latyshev NA, Ermakova SP, Ermolenko EV, Imbs AB, Kasyanov SP, Sultanov RM: 1-O-alkylglycerols from the hepatopancreas of the crab Paralithodes camtschaticus, liver of the squid Berryteuthis magister, and liver of the skate Bathyraja parmifera, and their anticancer activity on human melanoma cells. J Food Biochem. 2019 May;43(5):e12828. doi: 10.1111/jfbc.12828. Epub 2019 Mar 13. [PubMed:31353521 ]
Zheng H, Duclos RI Jr, Smith CC, Farber HW, Zoeller RA: Synthesis and biological properties of the fluorescent ether lipid precursor 1-O-[9'-(1''-pyrenyl)]nonyl-sn-glycerol. J Lipid Res. 2006 Mar;47(3):633-42. doi: 10.1194/jlr.M500493-JLR200. Epub 2005 Dec 20. [PubMed:16369049 ]
LOTUS database [Link]

Showing NP-Card for chimyl alcohol (NP0159462)

MOL for NP0159462 (chimyl alcohol)

3D MOL for NP0159462 (chimyl alcohol)

3D SDF for NP0159462 (chimyl alcohol)

3D-SDF for NP0159462 (chimyl alcohol)

PDB for NP0159462 (chimyl alcohol)

3D PDB for NP0159462 (chimyl alcohol)

SMILES for NP0159462 (chimyl alcohol)

INCHI for NP0159462 (chimyl alcohol)

Structure for NP0159462 (chimyl alcohol)

3D Structure for NP0159462 (chimyl alcohol)