NP-MRD: Showing NP-Card for ascr#1 (NP0213923)

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Record Information

Version

2.0

Created at

2022-09-05 13:04:12 UTC

Updated at

2022-09-05 13:04:12 UTC

NP-MRD ID

NP0213923

Secondary Accession Numbers

None

Natural Product Identification

Common Name

ascr#1

Description

Ascr#1, also known as daumone or ascaroside C7, belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. Thus, ascr#1 is considered to be a fatty acyl glycoside. Ascr#1 is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. ascr#1 is found in Caenorhabditis elegans and Panagrellus redivivus. ascr#1 was first documented in 2018 (PMID: 29480728). Based on a literature review a small amount of articles have been published on ascr#1 (PMID: 35031295) (PMID: 32579656) (PMID: 31634473) (PMID: 31405082).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 43  0  0  0  0  0  0  0  0999 V2000
   -2.2951    2.3601    0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1509    1.1406    0.7673 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3736    0.1061    1.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8034   -0.6067    0.1993 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7484   -1.3195    0.7118 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4880   -1.0428    0.1182 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0732   -2.1971   -0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3477   -0.3870    1.1267 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6107    0.2501    0.7105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282   -0.6001    0.0709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8955    0.2312   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6282    1.3091   -1.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5545    1.5026   -1.7469 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6804    2.2098   -1.3789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542   -1.5489   -0.4140 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5967   -1.6472   -1.7762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1819   -0.8323   -0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9143    0.6462   -0.4293 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0926    1.3730   -0.5282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7655    2.9634   -0.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2970    1.9710    0.1293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1534    2.9406    1.3351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8471    1.4910    1.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5289    0.0920   -0.6122 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2232   -0.2544   -0.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3154   -3.0330   -0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9662   -2.6036   -0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3549   -1.9356   -1.6223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6018   -1.1248    1.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7494    0.3916    1.7020 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1131    0.7348    1.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3504    1.1309    0.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2881   -0.9692   -0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8993   -1.4450    0.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6440   -0.5008   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2037    0.6083    0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8998    2.8906   -0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8321   -2.5440    0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4476   -2.5920   -2.0533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8746   -1.2295   -0.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5505   -0.9905    0.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3243    0.7643   -1.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8835    2.2968   -0.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
  7  6  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 14  1  0
 12 13  2  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  1  0
  2 18  1  0
 18 19  1  0
 18 17  1  0
 17 15  1  0
 15 16  1  0
 15  4  1  0
  7 26  1  0
  7 27  1  0
  7 28  1  0
  6 25  1  6
  8 29  1  0
  8 30  1  0
  9 31  1  0
  9 32  1  0
 10 33  1  0
 10 34  1  0
 11 35  1  0
 11 36  1  0
 14 37  1  0
  4 24  1  6
  2 23  1  1
  1 20  1  0
  1 21  1  0
  1 22  1  0
 18 42  1  6
 19 43  1  0
 17 40  1  0
 17 41  1  0
 15 38  1  1
 16 39  1  0
M  END


  Mrv1652309052215042D          

 19 19  0  0  1  0            999 V2000
   -3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  1  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  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
  4 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
  2 18  1  0  0  0  0
 18 19  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0213923

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](CCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O

> <INCHI_IDENTIFIER>
InChI=1S/C13H24O6/c1-8(5-3-4-6-12(16)17)18-13-11(15)7-10(14)9(2)19-13/h8-11,13-15H,3-7H2,1-2H3,(H,16,17)/t8-,9+,10-,11-,13-/m1/s1

> <INCHI_KEY>
KBTQMAFDKPKMEJ-UYNYGYNWSA-N

> <FORMULA>
C13H24O6

> <MOLECULAR_WEIGHT>
276.329

> <EXACT_MASS>
276.157288493

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
29.332485144456378

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6R)-6-{[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}heptanoic acid

> <JCHEM_LOGP>
0.757161537666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.264073045915286

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.125110464279267

> <JCHEM_PKA_STRONGEST_BASIC>
-3.1878253685480455

> <JCHEM_POLAR_SURFACE_AREA>
96.22000000000001

> <JCHEM_REFRACTIVITY>
67.1936

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
(6R)-6-{[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}heptanoic 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      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0      -4.001   2.310   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       8.002   1.540   0.000  0.00  0.00           O+0
HETATM   14  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -6.668  -0.770   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   18                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   15                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
CONECT   15    4   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17    2   19                                                  
CONECT   19   18                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   38    0
END

View in JSmol

Synonyms

Value	Source
(-)-6R-(3'r,5'r-Dihydroxy-6's-methyl-(2H)-tetrahydropyran-2'-yloxy)heptanoic acid	ChEBI
(-)-6R-(3'r,5'r-Dihydroxy-6's-methyltetrahydro-pyran-2'-R-yloxy)heptanoic acid	ChEBI
(-)-Daumone	ChEBI
Ascaroside C7	ChEBI
Daumone	ChEBI
Daumone-1	ChEBI
(-)-6R-(3'r,5'r-Dihydroxy-6's-methyl-(2H)-tetrahydropyran-2'-yloxy)heptanoate	Generator
(-)-6R-(3'r,5'r-Dihydroxy-6's-methyltetrahydro-pyran-2'-R-yloxy)heptanoate	Generator

Chemical Formula

C₁₃H₂₄O₆

Average Mass

276.3290 Da

Monoisotopic Mass

276.15729 Da

IUPAC Name

(6R)-6-{[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}heptanoic acid

Traditional Name

(6R)-6-{[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}heptanoic acid

CAS Registry Number

Not Available

SMILES

C[C@H](CCCCC(O)=O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O

InChI Identifier

InChI=1S/C13H24O6/c1-8(5-3-4-6-12(16)17)18-13-11(15)7-10(14)9(2)19-13/h8-11,13-15H,3-7H2,1-2H3,(H,16,17)/t8-,9+,10-,11-,13-/m1/s1

InChI Key

KBTQMAFDKPKMEJ-UYNYGYNWSA-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
Caenorhabditis elegans	LOTUS Database	35616633
Panagrellus redivivus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar acids and derivatives

Alternative Parents

Substituents

Hexose monosaccharide
Medium-chain fatty acid
Branched fatty acid
Heterocyclic fatty acid
Hydroxy fatty acid
Sugar acid
Methyl-branched fatty acid
Fatty acyl
Monosaccharide
Oxane
Fatty acid
Secondary alcohol
Monocarboxylic acid or derivatives
Acetal
Oxacycle
Carboxylic acid
Carboxylic acid derivative
Organoheterocyclic compound
Alcohol
Hydrocarbon derivative
Carbonyl group
Organic oxide
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

monocarboxylic acid (CHEBI:78786 )
(omega-1)-hydroxy fatty acid ascaroside (CHEBI:78786 )

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	0.76	ChemAxon
pKa (Strongest Acidic)	4.13	ChemAxon
pKa (Strongest Basic)	-3.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	96.22 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	67.19 m³·mol⁻¹	ChemAxon
Polarizability	29.33 Å³	ChemAxon
Number of Rings	1	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

C00045627

Chemspider ID

9646210

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11471380

PDB ID

Not Available

ChEBI ID

78786

Good Scents ID

Not Available

References

General References

Dong C, Reilly DK, Bergame C, Dolke F, Srinivasan J, von Reuss SH: Comparative Ascaroside Profiling of Caenorhabditis Exometabolomes Reveals Species-Specific (omega) and (omega - 2)-Hydroxylation Downstream of Peroxisomal beta-Oxidation. J Org Chem. 2018 Jul 6;83(13):7109-7120. doi: 10.1021/acs.joc.8b00094. Epub 2018 Mar 5. [PubMed:29480728 ]
Wang J, Cao L, Huang Z, Gu X, Cui Y, Li J, Li Y, Xu C, Han R: Influence of the ascarosides on the recovery, yield and dispersal of entomopathogenic nematodes. J Invertebr Pathol. 2022 Feb;188:107717. doi: 10.1016/j.jip.2022.107717. Epub 2022 Jan 11. [PubMed:35031295 ]
Ning S, Zhang L, Ma J, Chen L, Zeng G, Yang C, Zhou Y, Guo X, Deng X: Modular and scalable synthesis of nematode pheromone ascarosides: implications in eliciting plant defense response. Org Biomol Chem. 2020 Jul 8;18(26):4956-4961. doi: 10.1039/d0ob00652a. [PubMed:32579656 ]
Hartley CJ, Lillis PE, Owens RA, Griffin CT: Infective juveniles of entomopathogenic nematodes (Steinernema and Heterorhabditis) secrete ascarosides and respond to interspecific dispersal signals. J Invertebr Pathol. 2019 Nov;168:107257. doi: 10.1016/j.jip.2019.107257. Epub 2019 Oct 18. [PubMed:31634473 ]
Park JY, Joo HJ, Park S, Paik YK: Ascaroside Pheromones: Chemical Biology and Pleiotropic Neuronal Functions. Int J Mol Sci. 2019 Aug 9;20(16):3898. doi: 10.3390/ijms20163898. [PubMed:31405082 ]
LOTUS database [Link]

Showing NP-Card for ascr#1 (NP0213923)

MOL for NP0213923 (ascr#1)

3D MOL for NP0213923 (ascr#1)

3D SDF for NP0213923 (ascr#1)

3D-SDF for NP0213923 (ascr#1)

PDB for NP0213923 (ascr#1)

3D PDB for NP0213923 (ascr#1)

SMILES for NP0213923 (ascr#1)

INCHI for NP0213923 (ascr#1)

Structure for NP0213923 (ascr#1)

3D Structure for NP0213923 (ascr#1)