NP-MRD: Showing NP-Card for 15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid (NP0184942)

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Record Information

Version

1.0

Created at

2022-09-04 00:12:26 UTC

Updated at

2022-09-04 00:12:27 UTC

NP-MRD ID

NP0184942

Secondary Accession Numbers

None

Natural Product Identification

Common Name

15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

Description

15-Hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]Undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid is found in Sorangium cellulosum. It was first documented in 2022 (PMID: 36057450). Based on a literature review a significant number of articles have been published on 15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]Undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid (PMID: 36057449) (PMID: 36057448) (PMID: 36057447) (PMID: 36057446).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042202122D          

 51 52  0  0  0  0            999 V2000
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  -13.5749   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  3  4  2  0  0  0  0
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 34 33  1  4  0  0  0
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 36 35  1  4  0  0  0
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 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
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 40 45  1  0  0  0  0
 45 46  1  0  0  0  0
 23 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 15 50  1  0  0  0  0
 50 51  1  0  0  0  0
M  END

     RDKit          3D

119120  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv1652309042202122D          

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  1  2  1  0  0  0  0
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  4  6  1  0  0  0  0
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 11 12  1  0  0  0  0
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 15 22  1  0  0  0  0
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 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
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 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 30 28  1  4  0  0  0
 30 31  2  0  0  0  0
 32 31  1  4  0  0  0
 32 33  2  0  0  0  0
 34 33  1  4  0  0  0
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 36 35  1  4  0  0  0
 36 37  2  0  0  0  0
 38 37  1  4  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
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 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 42 44  1  0  0  0  0
 40 45  1  0  0  0  0
 45 46  1  0  0  0  0
 23 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 15 50  1  0  0  0  0
 50 51  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0184942

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC=C(C)CC(C)C(O)C(C)C1OC2(CC(OC)C1C)OC(C(C)C(O)C(C)C=CC=CC=CC=CC=CC(CC(O)=O)OC)C(C)CC2O

> <INCHI_IDENTIFIER>
InChI=1S/C42H68O9/c1-11-20-27(2)23-29(4)39(47)33(8)41-31(6)35(49-10)26-42(51-41)36(43)24-30(5)40(50-42)32(7)38(46)28(3)21-18-16-14-12-13-15-17-19-22-34(48-9)25-37(44)45/h12-22,28-36,38-41,43,46-47H,11,23-26H2,1-10H3,(H,44,45)

> <INCHI_KEY>
BOJZOFIRYFCWHX-UHFFFAOYSA-N

> <FORMULA>
C42H68O9

> <MOLECULAR_WEIGHT>
716.997

> <EXACT_MASS>
716.48633377

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
119

> <JCHEM_AVERAGE_POLARIZABILITY>
84.19349970974994

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

> <JCHEM_LOGP>
7.287995663666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.196862093960444

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.6188226321884605

> <JCHEM_PKA_STRONGEST_BASIC>
-2.964827369386155

> <JCHEM_POLAR_SURFACE_AREA>
134.91

> <JCHEM_REFRACTIVITY>
209.04770000000008

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0     -26.674 -13.860   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -25.340 -14.630   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -24.006 -13.860   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -22.673 -14.630   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -22.673 -16.170   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -21.339 -13.860   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -21.339 -12.320   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -22.673 -11.550   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -20.005 -11.550   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0     -18.672 -12.320   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0     -20.005 -10.010   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -21.339  -9.240   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -18.672  -9.240   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0     -18.672  -7.700   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0     -17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -16.004  -9.240   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0     -14.670 -10.010   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0     -14.670 -11.550   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -17.338 -10.010   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -17.338 -11.550   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0     -18.672  -6.160   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0     -18.672  -4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -20.005  -3.850   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -21.339  -4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -20.005  -2.310   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0     -18.672  -1.540   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0     -21.339  -1.540   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -22.673  -2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -21.339   0.000   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -20.005   0.770   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -20.005   2.310   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -18.672   3.080   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -18.672   4.620   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0     -17.338   5.390   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0     -17.338   6.930   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0     -16.004   7.700   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0     -16.004   9.240   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     -14.670  10.010   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0     -14.670  11.550   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0     -16.004  12.320   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0     -16.004  13.860   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0     -17.338  14.630   0.000  0.00  0.00           O+0
HETATM   44  O   UNK     0     -14.670  14.630   0.000  0.00  0.00           O+0
HETATM   45  O   UNK     0     -13.337  12.320   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0     -12.003  11.550   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0     -17.338  -3.850   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0     -17.338  -2.310   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0     -16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0     -16.004  -6.160   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0     -14.670  -6.930   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   20                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   22   50                                             
CONECT   16   15   17                                                       
CONECT   17   16   18   20                                                  
CONECT   18   17   19                                                       
CONECT   19   18                                                            
CONECT   20   17   13   21                                                  
CONECT   21   20                                                            
CONECT   22   15   23                                                       
CONECT   23   22   24   47                                                  
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   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   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   45                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42                                                            
CONECT   45   40   46                                                       
CONECT   46   45                                                            
CONECT   47   23   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50                                                       
CONECT   50   49   15   51                                                  
CONECT   51   50                                                            
MASTER        0    0    0    0    0    0    0    0   51    0  104    0
END

View in JSmol

Synonyms

Value	Source
15-Hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoate	Generator

Chemical Formula

C₄₂H₆₈O₉

Average Mass

716.9970 Da

Monoisotopic Mass

716.48633 Da

IUPAC Name

15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

Traditional Name

15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid

CAS Registry Number

Not Available

SMILES

CCC=C(C)CC(C)C(O)C(C)C1OC2(CC(OC)C1C)OC(C(C)C(O)C(C)C=CC=CC=CC=CC=CC(CC(O)=O)OC)C(C)CC2O

InChI Identifier

InChI=1S/C42H68O9/c1-11-20-27(2)23-29(4)39(47)33(8)41-31(6)35(49-10)26-42(51-41)36(43)24-30(5)40(50-42)32(7)38(46)28(3)21-18-16-14-12-13-15-17-19-22-34(48-9)25-37(44)45/h12-22,28-36,38-41,43,46-47H,11,23-26H2,1-10H3,(H,44,45)

InChI Key

BOJZOFIRYFCWHX-UHFFFAOYSA-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
Sorangium cellulosum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Branched fatty acid
Ketal
Heterocyclic fatty acid
Hydroxy fatty acid
Methyl-branched fatty acid
Oxane
Unsaturated fatty acid
Secondary alcohol
Acetal
Carboxylic acid derivative
Carboxylic acid
Dialkyl ether
Ether
Oxacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Alcohol
Organooxygen compound
Organic oxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	7.29	ChemAxon
pKa (Strongest Acidic)	4.62	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	134.91 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	209.05 m³·mol⁻¹	ChemAxon
Polarizability	84.19 Å³	ChemAxon
Number of Rings	2	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

Not Available

METLIN ID

Not Available

PubChem Compound

73025229

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Micalizzi E, Vaudano AE, Ballerini A, Talami F, Giovannini G, Turchi G, Cioclu MC, Giunta L, Meletti S: Ictal Apnea: a prospective monocentric study in patients with epilepsy. Eur J Neurol. 2022 Sep 3. doi: 10.1111/ene.15547. [PubMed:36057450 ]
Jiang S, Guo P, Heo HY, Zhang Y, Wu J, Jin Y, Laterra J, Eberhart CG, Lim M, Blakeley JO: Radiomics analysis of amide proton transfer-weighted and structural MR images for treatment response assessment in malignant gliomas. NMR Biomed. 2022 Sep 3:e4824. doi: 10.1002/nbm.4824. [PubMed:36057449 ]
Agarwal K, Saikia P, Podder I: Metabolic syndrome and Dyslipidemia in xanthelasma palpebrarum and associated risk-factors- a case-control study. J Cosmet Dermatol. 2022 Sep 3. doi: 10.1111/jocd.15353. [PubMed:36057448 ]
Lebel V, Argiropoulos N, Robins S, Charbonneau L, Feeley N: Family-centred care and breastfeeding self-efficacy determined how ready mothers were for their infants to be discharged from a neonatal intensive care unit. Acta Paediatr. 2022 Sep 3. doi: 10.1111/apa.16538. [PubMed:36057447 ]
Park JI, Kim SJ, Kim YJ, Lee SJ: Protective role of Caesalpinia sappan extract and its main component brazilin against blue light-induced damage in human fibroblasts. J Cosmet Dermatol. 2022 Sep 3. doi: 10.1111/jocd.15354. [PubMed:36057446 ]
LOTUS database [Link]

Showing NP-Card for 15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid (NP0184942)

MOL for NP0184942 (15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid)

3D MOL for NP0184942 (15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid)

3D SDF for NP0184942 (15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid)

3D-SDF for NP0184942 (15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid)

PDB for NP0184942 (15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid)

3D PDB for NP0184942 (15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid)

SMILES for NP0184942 (15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid)

INCHI for NP0184942 (15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid)

Structure for NP0184942 (15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid)

3D Structure for NP0184942 (15-hydroxy-16-[5-hydroxy-8-(3-hydroxy-4,6-dimethylnon-6-en-2-yl)-10-methoxy-3,9-dimethyl-1,7-dioxaspiro[5.5]undecan-2-yl]-3-methoxy-14-methylheptadeca-4,6,8,10,12-pentaenoic acid)