NP-MRD: Showing NP-Card for (2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid (NP0215816)

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Record Information

Version

2.0

Created at

2022-09-05 15:33:37 UTC

Updated at

2022-09-05 15:33:37 UTC

NP-MRD ID

NP0215816

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid

Description

Lysophosphatidylinositol, also known as lysopi, belongs to the class of organic compounds known as 1-acyl-sn-glycerol-3-phosphoinositols. These are glycerophosphoinositols where the glycerol is acylated only at position O-1 with a fatty acid. (2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid is found in Aloe vera. (2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid was first documented in 2022 (PMID: 36057287). Based on a literature review a small amount of articles have been published on lysophosphatidylinositol (PMID: 36042489) (PMID: 35908884) (PMID: 35779192) (PMID: 35625909).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 45 45  0  0  0  0  0  0  0  0999 V2000
    7.5373    0.5886   -0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0824    0.7542    0.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7008    1.6054    0.9115 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1683   -0.1111   -0.4739 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8330    0.0760    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9582   -1.1126   -0.4700 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6929   -1.2694   -1.7314 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7692   -1.1441    0.5792 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8582   -0.4617   -0.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1813    0.8978    0.5757 P   0  0  1  0  0  5  0  0  0  0  0  0
    0.8264    1.1951    1.8992 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7523    2.1414   -0.5571 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4617    0.8731    0.5816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964    0.0011   -0.3938 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3724   -1.2382    0.4063 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.8052   -2.2826   -0.3742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3303   -0.7728    1.4810 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6707    0.2192    2.2126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5665   -0.1502    0.8683 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8055    1.0971    1.4230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4781   -0.0773   -0.6427 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5022    0.7587   -1.0921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1750    0.5575   -1.0793 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.3000    1.9288   -0.7454 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7414   -0.5144   -0.1442 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8803    1.0026   -1.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0698    0.9282    0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3782    0.9850   -0.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    0.1780    1.0872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5872   -2.0527   -0.1083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6473   -2.0139   -2.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.1756    0.7590 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0301   -0.5728    1.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743    2.8510   -0.6787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1555   -0.2838   -1.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4472   -1.5750    0.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3321   -2.1924   -1.2547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5521   -1.5698    2.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0858   -0.1378    2.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4121   -0.8148    1.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6503    1.4673    1.0862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6577   -1.0596   -1.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6363    0.5386   -2.0571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0950    0.4677   -2.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5969    2.4699   -1.4971 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
 10  9  1  6
 10 12  1  0
 10 11  2  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 14  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  1
  7 31  1  0
  8 32  1  0
  8 33  1  0
 12 34  1  0
 14 35  1  6
 15 36  1  1
 16 37  1  0
 17 38  1  1
 18 39  1  0
 19 40  1  6
 20 41  1  0
 21 42  1  6
 22 43  1  0
 23 44  1  6
 24 45  1  0
M  END


  Mrv1652309052217332D          

 24 24  0  0  1  0            999 V2000
    2.1434   -4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -4.5375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.5572   -4.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322   -3.4105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.7171   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -5.3625    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2881   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  1  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  1  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  1  0  0  0
 21 23  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0215816

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(=O)OC[C@H](O)COP(O)(=O)OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C11H21O12P/c1-4(12)21-2-5(13)3-22-24(19,20)23-11-9(17)7(15)6(14)8(16)10(11)18/h5-11,13-18H,2-3H2,1H3,(H,19,20)/t5-,6?,7-,8+,9+,10+,11?/m0/s1

> <INCHI_KEY>
FBDBXJJQMHPGMP-FNFFQOHASA-N

> <FORMULA>
C11H21O12P

> <MOLECULAR_WEIGHT>
376.251

> <EXACT_MASS>
376.077063114

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
45

> <JCHEM_AVERAGE_POLARIZABILITY>
33.0402013850491

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[(2S)-3-(acetyloxy)-2-hydroxypropoxy]({[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

> <JCHEM_LOGP>
-4.406926504333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
12.339056688317513

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8335386409397092

> <JCHEM_PKA_STRONGEST_BASIC>
-3.403996960445789

> <JCHEM_POLAR_SURFACE_AREA>
203.44

> <JCHEM_REFRACTIVITY>
72.5365

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S)-3-(acetyloxy)-2-hydroxypropoxy([(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0       4.001  -8.470   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       5.335  -6.160   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       6.668  -8.470   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.336  -8.470   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       9.336 -10.010   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      12.003  -8.470   0.000  0.00  0.00           O+0
HETATM   10  P   UNK     0      13.337  -7.700   0.000  0.00  0.00           P+0
HETATM   11  O   UNK     0      14.107  -9.034   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0      12.567  -6.366   0.000  0.00  0.00           O+0
HETATM   13  O   UNK     0      14.670  -6.930   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      17.338  -5.390   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      18.672  -7.700   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      20.005  -6.930   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      18.672  -9.240   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      20.005 -10.010   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      17.338 -11.550   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      14.670 -10.010   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12   13                                             
CONECT   11   10                                                            
CONECT   12   10                                                            
CONECT   13   10   14                                                       
CONECT   14   13   15   23                                                  
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   14   24                                                  
CONECT   24   23                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

View in JSmol

Synonyms

Value	Source
LysoPI	MeSH
Lysophosphatidylinositols	MeSH

Chemical Formula

C₁₁H₂₁O₁₂P

Average Mass

376.2510 Da

Monoisotopic Mass

376.07706 Da

IUPAC Name

[(2S)-3-(acetyloxy)-2-hydroxypropoxy]({[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid

Traditional Name

(2S)-3-(acetyloxy)-2-hydroxypropoxy([(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid

CAS Registry Number

Not Available

SMILES

CC(=O)OC[C@H](O)COP(O)(=O)OC1[C@H](O)[C@@H](O)C(O)[C@@H](O)[C@H]1O

InChI Identifier

InChI=1S/C11H21O12P/c1-4(12)21-2-5(13)3-22-24(19,20)23-11-9(17)7(15)6(14)8(16)10(11)18/h5-11,13-18H,2-3H2,1H3,(H,19,20)/t5-,6?,7-,8+,9+,10+,11?/m0/s1

InChI Key

FBDBXJJQMHPGMP-FNFFQOHASA-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
Aloe vera	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-acyl-sn-glycerol-3-phosphoinositols. These are glycerophosphoinositols where the glycerol is acylated only at position O-1 with a fatty acid.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerophospholipids

Sub Class

Glycerophosphoinositols

Direct Parent

1-acyl-sn-glycerol-3-phosphoinositols

Alternative Parents

Substituents

1-acyl-sn-glycerol-3-phosphoinositol
Inositol phosphate
Dialkyl phosphate
Cyclohexanol
Alkyl phosphate
Phosphoric acid ester
Organic phosphoric acid derivative
Cyclitol or derivatives
Cyclic alcohol
Secondary alcohol
Carboxylic acid ester
Polyol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic compounds

External Descriptors

Not Available

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	-4.4	ChemAxon
pKa (Strongest Acidic)	1.83	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	203.44 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	72.54 m³·mol⁻¹	ChemAxon
Polarizability	33.04 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Lysophosphatidylinositol

METLIN ID

Not Available

PubChem Compound

73755067

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wei J, Zhang Z, Du Y, Yang X, Zhao L, Ni P, Ni R, Gong M, Ma X: A combination of neuroimaging and plasma metabolomic analysis suggests inflammation is associated with white matter structural connectivity in major depressive disorder. J Affect Disord. 2022 Aug 31;318:7-15. doi: 10.1016/j.jad.2022.08.108. [PubMed:36057287 ]
Gonzalez PA, Simcox J, Raff H, Wade G, Von Bank H, Weisman S, Hainsworth K: Lipid signatures of chronic pain in female adolescents with and without obesity. Lipids Health Dis. 2022 Aug 30;21(1):80. doi: 10.1186/s12944-022-01690-2. [PubMed:36042489 ]
Takagi Y, Nishikado S, Omi J, Aoki J: The Many Roles of Lysophospholipid Mediators and Japanese Contributions to This Field. Biol Pharm Bull. 2022;45(8):1008-1021. doi: 10.1248/bpb.b22-00304. [PubMed:35908884 ]
Brenneman DE, Kinney WA, McDonnell ME, Zhao P, Abood ME, Ward SJ: Anti-Inflammatory Properties of KLS-13019: a Novel GPR55 Antagonist for Dorsal Root Ganglion and Hippocampal Cultures. J Mol Neurosci. 2022 Sep;72(9):1859-1874. doi: 10.1007/s12031-022-02038-2. Epub 2022 Jul 2. [PubMed:35779192 ]
Tiszlavicz A, Gombos I, Peter M, Hegedus Z, Hunya A, Dukic B, Nagy I, Peksel B, Balogh G, Horvath I, Vigh L, Torok Z: Distinct Cellular Tools of Mild Hyperthermia-Induced Acquired Stress Tolerance in Chinese Hamster Ovary Cells. Biomedicines. 2022 May 19;10(5). pii: biomedicines10051172. doi: 10.3390/biomedicines10051172. [PubMed:35625909 ]
LOTUS database [Link]

Showing NP-Card for (2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid (NP0215816)

MOL for NP0215816 ((2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid)

3D MOL for NP0215816 ((2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid)

3D SDF for NP0215816 ((2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid)

3D-SDF for NP0215816 ((2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid)

PDB for NP0215816 ((2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid)

3D PDB for NP0215816 ((2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid)

SMILES for NP0215816 ((2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid)

INCHI for NP0215816 ((2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid)

Structure for NP0215816 ((2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid)

3D Structure for NP0215816 ((2s)-3-(acetyloxy)-2-hydroxypropoxy([(2r,3r,5s,6r)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid)