NP-MRD: Showing NP-Card for ES-285 (NP0079908)

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Record Information

Version

2.0

Created at

2022-04-29 00:59:07 UTC

Updated at

2022-04-29 00:59:07 UTC

NP-MRD ID

NP0079908

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ES-285

Description

1-Deoxysphinganine, also known as spisulosine or doxsa CPD, belongs to the class of organic compounds known as 1,2-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 C2 atom. Thus, 1-deoxysphinganine is considered to be a sphingoid base. ES-285 is found in Spisula polynyma. ES-285 was first documented in 2019 (PMID: 32694842). Based on a literature review a small amount of articles have been published on 1-deoxysphinganine (PMID: 34838542) (PMID: 34766138) (PMID: 32835606) (PMID: 32044396).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 59 58  0  0  0  0  0  0  0  0999 V2000
    6.8681    1.2192   -1.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3957   -0.0769   -1.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5792   -1.2997   -1.3239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2929   -1.3457   -0.6270 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3333   -0.2820   -0.9858 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9957   -0.4764   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1186    0.6632   -0.6941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7515    0.5883   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    0.6664    1.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3988    0.6165    2.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -0.6511    1.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4749   -0.7066    2.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3883    0.4082    2.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7162    0.4138    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3807   -0.8385    0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6522   -0.8267   -1.1778 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.2869   -2.0897   -1.4521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6854    0.2229   -1.5181 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1858    1.6043   -1.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8599    0.1549   -0.6890 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0535    1.1284   -2.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6970    1.7619   -2.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5857    1.9162   -0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3911   -0.2834   -1.6213 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7025    0.0389   -0.0345 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1973   -2.2366   -1.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3592   -1.3586   -2.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4583   -1.2604    0.5006 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8228   -2.3642   -0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1510   -0.2663   -2.0622 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6764    0.7033   -0.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -0.3239    0.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664   -1.4621   -0.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773    0.5863   -1.8049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5629    1.6190   -0.3953 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1481    1.4477   -0.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2633   -0.3911   -0.3048 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730    1.5757    1.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5025   -0.2343    1.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1839    0.6829    3.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9796    1.5217    1.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5169   -1.5163    2.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3863   -0.7116    0.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2436   -0.5950    3.6863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8855   -1.7047    2.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3415    0.4010    2.7782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9086    1.3809    2.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8460    0.6438    0.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4311    1.2822    0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3670   -1.0113    0.7912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7353   -1.7514    0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7321   -0.7167   -1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9210   -2.1978   -0.6942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1012   -0.0688   -2.5647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4364    2.0148   -2.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7005    2.3312   -0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0896    1.7040   -1.6244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4149   -0.7026   -0.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7009    0.4526    0.2948 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
 16 18  1  0
 18 19  1  0
 18 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 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  0
 15 51  1  0
 16 52  1  6
 17 53  1  0
 18 54  1  6
 19 55  1  0
 19 56  1  0
 19 57  1  0
 20 58  1  0
 20 59  1  0
M  END


  Mrv1652304292202592D          

 20 19  0  0  1  0            999 V2000
    7.2336    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9480    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6625    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3770    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8059    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5204    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2349    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9493    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6638    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3783    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0927    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5217    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2362    5.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9506    5.4138    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.6651    5.0013    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.3796    5.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6651    4.1763    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9506    6.2388    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
 17 19  1  6  0  0  0
 16 20  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0079908

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)N

> <INCHI_IDENTIFIER>
InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1

> <INCHI_KEY>
YRYJJIXWWQLGGV-ZWKOTPCHSA-N

> <FORMULA>
C18H39NO

> <MOLECULAR_WEIGHT>
285.516

> <EXACT_MASS>
285.30316488

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
39.43634735995637

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3R)-2-aminooctadecan-3-ol

> <ALOGPS_LOGP>
6.33

> <JCHEM_LOGP>
5.819504212

> <ALOGPS_LOGS>
-5.96

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.620677015190715

> <JCHEM_PKA_STRONGEST_BASIC>
9.832643159837946

> <JCHEM_POLAR_SURFACE_AREA>
46.25

> <JCHEM_REFRACTIVITY>
89.38569999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.16e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
spisulosine

> <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  C   UNK     0      13.503   9.336   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.836  10.106   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      16.170   9.336   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      17.504  10.106   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      18.837   9.336   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      20.171  10.106   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      21.505   9.336   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      22.838  10.106   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      24.172   9.336   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      25.506  10.106   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      26.839   9.336   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      28.173  10.106   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      29.507   9.336   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      30.840  10.106   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      32.174   9.336   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      33.508  10.106   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      34.842   9.336   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      36.175  10.106   0.000  0.00  0.00           C+0
HETATM   19  N   UNK     0      34.842   7.796   0.000  0.00  0.00           N+0
HETATM   20  O   UNK     0      33.508  11.646   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   20                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   16                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

View in JSmol

Synonyms

Value	Source
(2S,3R)-2-Amino-3-hydroxyoctadecane	ChEBI
1-Deoxy-sphinganine	ChEBI
1-Deoxysphinganine (0)	ChEBI
Spisulosine	ChEBI
DoxSA CPD	MeSH

Chemical Formula

C₁₈H₃₉NO

Average Mass

285.5160 Da

Monoisotopic Mass

285.30316 Da

IUPAC Name

(2S,3R)-2-aminooctadecan-3-ol

Traditional Name

spisulosine

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)N

InChI Identifier

InChI=1S/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17(2)19/h17-18,20H,3-16,19H2,1-2H3/t17-,18+/m0/s1

InChI Key

YRYJJIXWWQLGGV-ZWKOTPCHSA-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
Spisula polynyma	Animalia	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,2-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 C2 atom.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

1,2-aminoalcohols

Alternative Parents

Substituents

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

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

sphingoid (CHEBI:67106 )
amino alcohol (CHEBI:67106 )
Sphingoid base analogs (LMSP01080032 )

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	6.33	ALOGPS
logP	5.82	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Acidic)	14.62	ChemAxon
pKa (Strongest Basic)	9.83	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	46.25 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	89.39 m³·mol⁻¹	ChemAxon
Polarizability	39.44 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8101521

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

9925886

PDB ID

Not Available

ChEBI ID

67106

Good Scents ID

Not Available

References

General References

Truman JP, Ruiz CF, Montal E, Garcia-Barros M, Mileva I, Snider AJ, Hannun YA, Obeid LM, Mao C: 1-Deoxysphinganine initiates adaptive responses to serine and glycine starvation in cancer cells via proteolysis of sphingosine kinase. J Lipid Res. 2022 Jan;63(1):100154. doi: 10.1016/j.jlr.2021.100154. Epub 2021 Nov 24. [PubMed:34838542 ]
Xiang Y, Zhao K, Tang YQ, Dai R, Miao H: Modulating serine palmitoyltransferase-deoxysphingolipid axis in cancer therapy. MedComm (2020). 2020 Dec 31;2(1):117-119. doi: 10.1002/mco2.44. eCollection 2021 Mar. [PubMed:34766138 ]
Lauterbach MA, Saavedra V, Mangan MSJ, Penno A, Thiele C, Latz E, Kuerschner L: 1-Deoxysphingolipids cause autophagosome and lysosome accumulation and trigger NLRP3 inflammasome activation. Autophagy. 2021 Aug;17(8):1947-1961. doi: 10.1080/15548627.2020.1804677. Epub 2020 Aug 24. [PubMed:32835606 ]
Hannich JT, Haribowo AG, Gentina S, Paillard M, Gomez L, Pillot B, Thibault H, Abegg D, Guex N, Zumbuehl A, Adibekian A, Ovize M, Martinou JC, Riezman H: 1-Deoxydihydroceramide causes anoxic death by impairing chaperonin-mediated protein folding. Nat Metab. 2019 Oct;1(10):996-1008. doi: 10.1038/s42255-019-0123-y. Epub 2019 Oct 14. [PubMed:32694842 ]
Solhaug A, Torgersen ML, Holme JA, Wiik-Nilsen J, Thiede B, Eriksen GS: The Fusarium mycotoxin, 2-Amino-14,16-dimethyloctadecan-3-ol (AOD) induces vacuolization in HepG2 cells. Toxicology. 2020 Mar 30;433-434:152405. doi: 10.1016/j.tox.2020.152405. Epub 2020 Feb 7. [PubMed:32044396 ]

Showing NP-Card for ES-285 (NP0079908)

MOL for NP0079908 (ES-285)

3D MOL for NP0079908 (ES-285)

3D SDF for NP0079908 (ES-285)

3D-SDF for NP0079908 (ES-285)

PDB for NP0079908 (ES-285)

3D PDB for NP0079908 (ES-285)

SMILES for NP0079908 (ES-285)

INCHI for NP0079908 (ES-285)

Structure for NP0079908 (ES-285)

3D Structure for NP0079908 (ES-285)