NP-MRD: Showing NP-Card for CerP(d18:1/12:0) (NP0091095)

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Record Information

Version

2.0

Created at

2022-05-11 18:30:35 UTC

Updated at

2022-05-11 18:30:35 UTC

NP-MRD ID

NP0091095

Secondary Accession Numbers

None

Natural Product Identification

Common Name

CerP(d18:1/12:0)

Description

CerP(d18:1/12:0), Also known as ceramide phosphate, belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group. Thus, cerp(D18:1/12:0) Is considered to be a ceramide lipid molecule. Ceramide-1-phosphate was shown to be a specific and potent inducer of arachidonic acid and prostanoid synthesis in cells through the translocation and activation of the cytoplasmic phospholipase A2. CerP(d18:1/12:0) Is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. The acyl group of ceramides is generally a long-chain saturated or monounsaturated fatty acid. Ceramide 1-phosphates are produced by phosphorylation of ceramide by a specific ceramide kinase.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02241201162D          

 40 39  0  0  1  0            999 V2000
   15.1726   -3.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4975   -3.4444    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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   15.8477   -3.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  3 38  1  0  0  0  0
 39 26  1  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv0541 02241201162D          

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   16.1331   -2.3795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9126   -3.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1979   -2.6649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0852   -4.2538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2562   -4.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2562   -5.4615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3548   -2.4085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3964   -2.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5255   -4.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8284   -4.6949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0977   -4.3119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4007   -4.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6700   -4.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9729   -4.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2422   -4.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5452   -4.8701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8144   -4.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1174   -4.9285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3867   -4.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5341   -3.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2486   -3.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9631   -3.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6776   -3.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3921   -3.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1065   -3.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8210   -3.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5355   -3.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2499   -3.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9644   -3.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6789   -3.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3934   -3.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1079   -3.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8311   -3.0355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1057   -3.4286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  2  5  1  6  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  6  1  0  0  0  0
  2 10  1  1  0  0  0
 12 11  2  0  0  0  0
  5 11  1  0  0  0  0
 13  3  1  6  0  0  0
  3 14  1  1  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
  3 38  1  0  0  0  0
 39 26  1  0  0  0  0
 40 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0091095

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36)/b25-23+/t28-,29+/m0/s1

> <INCHI_KEY>
KXEMZGPJXBKYJP-VARSQMIESA-N

> <FORMULA>
C30H60NO6P

> <MOLECULAR_WEIGHT>
561.7743

> <EXACT_MASS>
561.415825169

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_AVERAGE_POLARIZABILITY>
69.41671224301766

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(2S,3R,4E)-2-dodecanamido-3-hydroxyoctadec-4-en-1-yl]oxy}phosphonic acid

> <ALOGPS_LOGP>
7.11

> <JCHEM_LOGP>
8.801690232148712

> <ALOGPS_LOGS>
-6.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.53576421657912

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.528373897312878

> <JCHEM_PKA_STRONGEST_BASIC>
0.0006800844954952812

> <JCHEM_POLAR_SURFACE_AREA>
116.09000000000002

> <JCHEM_REFRACTIVITY>
158.2446

> <JCHEM_ROTATABLE_BOND_COUNT>
28

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.84e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[(2S,3R,4E)-2-dodecanamido-3-hydroxyoctadec-4-en-1-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      28.322  -5.702   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      27.062  -6.430   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      25.802  -5.702   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      29.582  -6.430   0.000  0.00  0.00           O+0
HETATM    5  N   UNK     0      26.079  -7.885   0.000  0.00  0.00           N+0
HETATM    6  P   UNK     0      30.843  -5.702   0.000  0.00  0.00           P+0
HETATM    7  O   UNK     0      30.115  -4.442   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0      31.570  -6.962   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0      32.103  -4.974   0.000  0.00  0.00           O+0
HETATM   10  H   UNK     0      28.159  -7.940   0.000  0.00  0.00           H+0
HETATM   11  C   UNK     0      24.745  -8.655   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      24.745 -10.195   0.000  0.00  0.00           O+0
HETATM   13  H   UNK     0      24.929  -4.496   0.000  0.00  0.00           H+0
HETATM   14  O   UNK     0      26.873  -4.338   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      23.381  -7.940   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      22.080  -8.764   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.716  -8.049   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      19.415  -8.873   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      18.051  -8.158   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      16.749  -8.982   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      15.385  -8.267   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.084  -9.091   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      12.720  -8.376   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      11.419  -9.200   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.055  -8.485   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.464  -6.472   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.797  -5.702   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.131  -6.472   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.465  -5.702   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      13.799  -6.472   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      15.132  -5.702   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      16.466  -6.472   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      17.800  -5.702   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      19.133  -6.472   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      20.467  -5.702   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      21.801  -6.472   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      23.134  -5.702   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      24.468  -6.472   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       7.151  -5.666   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.797  -6.400   0.000  0.00  0.00           C+0
CONECT    1    2    4                                                       
CONECT    2    1    3    5   10                                             
CONECT    3    2   13   14   38                                             
CONECT    4    1    6                                                       
CONECT    5    2   11                                                       
CONECT    6    4    7    8    9                                             
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    6                                                            
CONECT   10    2                                                            
CONECT   11   12    5   15                                                  
CONECT   12   11                                                            
CONECT   13    3                                                            
CONECT   14    3                                                            
CONECT   15   11   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   27   39                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37    3                                                       
CONECT   39   26   40                                                       
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

View in JSmol

Synonyms

Value	Source
N-(Dodecanoyl)sphing-4-enine-1-phosphate	HMDB
N-Dodecanoylsphing-4-enine-1-phosphate	HMDB
N-Lauroylceramide-1-phosphate	HMDB
N-Lauroylsphing-4-enine-1-phosphate	HMDB
N-Lauroylsphingosine 1-phosphate	HMDB
N-(Dodecanoyl)sphing-4-enine-1-phosphoric acid	HMDB
N-Dodecanoylsphing-4-enine-1-phosphoric acid	HMDB
N-Lauroylceramide-1-phosphoric acid	HMDB
N-Lauroylsphing-4-enine-1-phosphoric acid	HMDB
N-Lauroylsphingosine 1-phosphoric acid	HMDB
N-(Dodecanoyl)-sphing-4-enine-1-phosphate	HMDB
N-Lauroyl-ceramide-1-phosphate	HMDB
Ceramide phosphate	HMDB
N-(Dodecanoyl)-1-phosphate-sphing-4-enine	HMDB
Ceramide phosphate(D18:1/12:0)	HMDB
N-(Dodecanoyl)-1-phosphate-sphingosine	HMDB
N-(Dodecanoyl)-1-phosphate-D-erythro-sphingosine	HMDB
N-(Dodecanoyl)-1-phosphate-4-sphingenine	HMDB
N-(Dodecanoyl)-1-phosphate-D-sphingosine	HMDB
N-(Dodecanoyl)-1-phosphate-sphingenine	HMDB
N-(Dodecanoyl)-1-phosphate-erythro-4-sphingenine	HMDB

Chemical Formula

C₃₀H₆₀NO₆P

Average Mass

561.7743 Da

Monoisotopic Mass

561.41583 Da

IUPAC Name

{[(2S,3R,4E)-2-dodecanamido-3-hydroxyoctadec-4-en-1-yl]oxy}phosphonic acid

Traditional Name

[(2S,3R,4E)-2-dodecanamido-3-hydroxyoctadec-4-en-1-yl]oxyphosphonic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCC\C=C\[C@@]([H])(O)[C@]([H])(COP(=O)(O)O)NC(=O)CCCCCCCCCCC

InChI Identifier

InChI=1S/C30H60NO6P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-29(32)28(27-37-38(34,35)36)31-30(33)26-24-22-20-17-12-10-8-6-4-2/h23,25,28-29,32H,3-22,24,26-27H2,1-2H3,(H,31,33)(H2,34,35,36)/b25-23+/t28-,29+/m0/s1

InChI Key

KXEMZGPJXBKYJP-VARSQMIESA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phosphosphingolipids. These are sphingolipids with a structure based on a sphingoid base that is attached to a phosphate head group. They differ from phosphonospingolipids which have a phosphonate head group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Sphingolipids

Sub Class

Phosphosphingolipids

Direct Parent

Phosphosphingolipids

Alternative Parents

Substituents

Sphingoid-1-phosphate or derivatives
Phosphoethanolamine
Monoalkyl phosphate
Fatty amide
N-acyl-amine
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Fatty acyl
Secondary carboxylic acid amide
Secondary alcohol
Carboxamide group
Carboxylic acid derivative
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Carbonyl group
Organic oxygen compound
Alcohol
Organopnictogen compound
Hydrocarbon derivative
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

N-acylsphingosine 1-phosphate (CHEBI:72718 )
Ceramide 1-phosphates (LMSP02050001 )

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	7.11	ALOGPS
logP	8.8	ChemAxon
logS	-6.5	ALOGPS
pKa (Strongest Acidic)	1.53	ChemAxon
pKa (Strongest Basic)	0.00068	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	116.09 Å²	ChemAxon
Rotatable Bond Count	28	ChemAxon
Refractivity	158.24 m³·mol⁻¹	ChemAxon
Polarizability	69.42 Å³	ChemAxon
Number of Rings	0	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

HMDB0010699

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB027849

KNApSAcK ID

Not Available

Chemspider ID

4446693

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5283580

PDB ID

1PZ

ChEBI ID

72718

Good Scents ID

Not Available

References

General References

Showing NP-Card for CerP(d18:1/12:0) (NP0091095)

MOL for NP0091095 (CerP(d18:1/12:0))

3D MOL for NP0091095 (CerP(d18:1/12:0))

3D SDF for NP0091095 (CerP(d18:1/12:0))

3D-SDF for NP0091095 (CerP(d18:1/12:0))

PDB for NP0091095 (CerP(d18:1/12:0))

3D PDB for NP0091095 (CerP(d18:1/12:0))

SMILES for NP0091095 (CerP(d18:1/12:0))

INCHI for NP0091095 (CerP(d18:1/12:0))

Structure for NP0091095 (CerP(d18:1/12:0))

3D Structure for NP0091095 (CerP(d18:1/12:0))