NP-MRD: Showing NP-Card for Dehydrophytosphingosine (NP0083972)

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Record Information

Version

2.0

Created at

2022-04-29 04:51:12 UTC

Updated at

2022-04-29 04:51:12 UTC

NP-MRD ID

NP0083972

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Dehydrophytosphingosine

Description

4-Hydroxy-8-sphingenine, also known as dehydrophytosphingosine, belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom. Thus, 4-hydroxy-8-sphingenine is considered to be a sphingoid base. Dehydrophytosphingosine is found in Averrhoa bilimbi . Dehydrophytosphingosine was first documented in 2012 (PMID: 22985176). Based on a literature review a small amount of articles have been published on 4-hydroxy-8-sphingenine (PMID: 33099117) (PMID: 32344348) (PMID: 28463779) (PMID: 26378098).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 59 58  0  0  0  0  0  0  0  0999 V2000
    4.7264    2.3827    0.9569 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4992    2.0648   -0.2946 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7743    0.5930   -0.4429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269   -0.1821   -0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8044   -1.6058   -0.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8097   -2.6569   -0.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8074   -2.9017    0.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8127   -1.8284    0.4851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0727   -1.5016   -0.7968 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512   -0.4499   -0.6181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130    0.1571    0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2796    1.2256    0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2990    0.7284    1.6168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9558   -0.5384    1.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7381   -0.6773    0.0253 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.1859   -2.0593    0.0833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0353    0.0952   -0.0322 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.7657   -0.0220    1.1270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8033    1.4786   -0.5435 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0309    1.3700   -1.7719 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1135    2.2324   -0.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8907    1.5987   -1.6729 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9186    1.6059    1.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6497    2.5475    0.7497 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1144    3.3504    1.3425 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4692    2.5816   -0.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467    2.3854   -1.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2504    0.4177   -1.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3236    0.1636    0.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8140    0.2074   -1.3189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9443    0.0252    0.4927 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5774   -1.7024   -1.4930 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4823   -1.8236    0.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2651   -2.4979   -1.8330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3308   -3.6631   -1.0682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2727   -3.8696   -0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872   -3.2127    1.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1542   -0.9273    0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0483   -2.2693    1.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6740   -2.4398   -1.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8219   -1.1098   -1.5208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5572   -0.1121   -1.4634 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3533   -0.1312    1.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6449    1.4018   -0.3816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7884    2.1529    0.9744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9257    1.5695    1.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7004    0.4977    2.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2130   -1.3696    1.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6979   -0.7498    2.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2155   -0.5712   -0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3758   -2.5895   -0.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6194   -0.4893   -0.8606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4073   -0.7942    1.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2744    2.0691    0.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3522    2.1603   -1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5762    1.2720   -2.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8047    3.2630   -1.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5781    2.3032    0.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4411    0.8454   -2.0892 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  2  0
 11 12  1  0
 12 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
  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
 11 43  1  0
 12 44  1  0
 12 45  1  0
 13 46  1  0
 13 47  1  0
 14 48  1  0
 14 49  1  0
 15 50  1  6
 16 51  1  0
 17 52  1  6
 18 53  1  0
 19 54  1  1
 20 55  1  0
 20 56  1  0
 21 57  1  0
 21 58  1  0
 22 59  1  0
M  END


  Mrv1652304292206512D          

 22 21  0  0  1  0            999 V2000
   -4.1467    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4322    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7177    2.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7177    3.3809    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0033    2.1434    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0033    1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2888    2.5559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2888    3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5743    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1401    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8546    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5691    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2836    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849    2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    2.5559    0.0000 C   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  6  0  0  0
  3  5  1  0  0  0  0
  5  6  1  1  0  0  0
  5  7  1  0  0  0  0
  7  8  1  6  0  0  0
  7  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  2  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  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0083972

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCC\C=C\CCC[C@@H](O)[C@@H](O)[C@@H](N)CO

> <INCHI_IDENTIFIER>
InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1

> <INCHI_KEY>
CQKNELOTFUSOTP-HMTIOLNVSA-N

> <FORMULA>
C18H37NO3

> <MOLECULAR_WEIGHT>
315.498

> <EXACT_MASS>
315.277344055

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
40.14138219133622

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2S,3S,4R,8E)-2-aminooctadec-8-ene-1,3,4-triol

> <ALOGPS_LOGP>
3.72

> <JCHEM_LOGP>
3.3357689816666665

> <ALOGPS_LOGS>
-3.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
14.814913090649561

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.447600775398406

> <JCHEM_PKA_STRONGEST_BASIC>
8.908333244203924

> <JCHEM_POLAR_SURFACE_AREA>
86.71000000000001

> <JCHEM_REFRACTIVITY>
93.4075

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.53e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
dehydrophytosphingosine

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-APR-22         0                                  
HETATM    1  O   UNK     0      -7.740   4.771   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0      -6.407   4.001   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.073   4.771   0.000  0.00  0.00           C+0
HETATM    4  N   UNK     0      -5.073   6.311   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0      -3.739   4.001   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.739   2.461   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -2.406   4.771   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.406   6.311   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -1.072   4.001   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.262   4.771   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.595   4.001   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.929   4.771   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.263   4.001   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.596   4.771   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.264   4.771   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.597   4.001   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.931   4.771   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      12.265   4.001   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      13.598   4.771   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      14.932   4.001   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      16.266   4.771   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   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                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END

View in JSmol

Synonyms

Value	Source
4R-Hydroxysphing-8E-enine	ChEBI
8,9-Didehydrophytosphingosine	ChEBI
Dehydrophytosphingosine	ChEBI

Chemical Formula

C₁₈H₃₇NO₃

Average Mass

315.4980 Da

Monoisotopic Mass

315.27734 Da

IUPAC Name

(2S,3S,4R,8E)-2-aminooctadec-8-ene-1,3,4-triol

Traditional Name

dehydrophytosphingosine

CAS Registry Number

Not Available

SMILES

CCCCCCCCC\C=C\CCC[C@@H](O)[C@@H](O)[C@@H](N)CO

InChI Identifier

InChI=1S/C18H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h10-11,16-18,20-22H,2-9,12-15,19H2,1H3/b11-10+/t16-,17+,18-/m0/s1

InChI Key

CQKNELOTFUSOTP-HMTIOLNVSA-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
Averrhoa bilimbi	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,3-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

1,3-aminoalcohols

Alternative Parents

Substituents

1,3-aminoalcohol
Secondary alcohol
1,2-aminoalcohol
Polyol
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Primary alcohol
Organooxygen compound
Primary aliphatic amine
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

sphingoid (CHEBI:20386 )
4-Hydroxysphinganines (Phytosphingosines) (LMSP01030002 )

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	3.72	ALOGPS
logP	3.34	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	13.45	ChemAxon
pKa (Strongest Basic)	8.91	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	86.71 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	93.41 m³·mol⁻¹	ChemAxon
Polarizability	40.14 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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

C00053069

Chemspider ID

26333231

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14757418

PDB ID

Not Available

ChEBI ID

20386

Good Scents ID

Not Available

References

General References

Adem AA, Belete A, Soboleva A, Frolov A, Tessema EN, Gebre-Mariam T, Neubert RHH: Structural characterization of plant glucosylceramides and the corresponding ceramides by UHPLC-LTQ-Orbitrap mass spectrometry. J Pharm Biomed Anal. 2021 Jan 5;192:113677. doi: 10.1016/j.jpba.2020.113677. Epub 2020 Oct 11. [PubMed:33099117 ]
Bianco M, Calvano CD, Losito I, Palmisano F, Cataldi TRI: Targeted analysis of ceramides and cerebrosides in yellow lupin seeds by reversed-phase liquid chromatography coupled to electrospray ionization and multistage mass spectrometry. Food Chem. 2020 Sep 15;324:126878. doi: 10.1016/j.foodchem.2020.126878. Epub 2020 Apr 21. [PubMed:32344348 ]
Tessema EN, Gebre-Mariam T, Schmelzer CEH, Neubert RHH: Isolation and structural characterization of glucosylceramides from Ethiopian plants by LC/APCI-MS/MS. J Pharm Biomed Anal. 2017 Jul 15;141:241-249. doi: 10.1016/j.jpba.2017.04.036. Epub 2017 Apr 24. [PubMed:28463779 ]
Magnin-Robert M, Le Bourse D, Markham J, Dorey S, Clement C, Baillieul F, Dhondt-Cordelier S: Modifications of Sphingolipid Content Affect Tolerance to Hemibiotrophic and Necrotrophic Pathogens by Modulating Plant Defense Responses in Arabidopsis. Plant Physiol. 2015 Nov;169(3):2255-74. doi: 10.1104/pp.15.01126. Epub 2015 Sep 16. [PubMed:26378098 ]
Valsecchi M, Mauri L, Casellato R, Ciampa MG, Rizza L, Bonina A, Bonina F, Sonnino S: Ceramides as possible nutraceutical compounds: characterization of the ceramides of the Moro blood orange ( Citrus sinensis ). J Agric Food Chem. 2012 Oct 10;60(40):10103-10. doi: 10.1021/jf3027414. Epub 2012 Oct 1. [PubMed:22985176 ]

Showing NP-Card for Dehydrophytosphingosine (NP0083972)

MOL for NP0083972 (Dehydrophytosphingosine)

3D MOL for NP0083972 (Dehydrophytosphingosine)

3D SDF for NP0083972 (Dehydrophytosphingosine)

3D-SDF for NP0083972 (Dehydrophytosphingosine)

PDB for NP0083972 (Dehydrophytosphingosine)

3D PDB for NP0083972 (Dehydrophytosphingosine)

SMILES for NP0083972 (Dehydrophytosphingosine)

INCHI for NP0083972 (Dehydrophytosphingosine)

Structure for NP0083972 (Dehydrophytosphingosine)

3D Structure for NP0083972 (Dehydrophytosphingosine)