NP-MRD: Showing NP-Card for [(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid (NP0241250)

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Record Information

Version

2.0

Created at

2022-09-07 01:16:49 UTC

Updated at

2022-09-07 01:16:50 UTC

NP-MRD ID

NP0241250

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid

Description

Oxydifficidin belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. [(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid was first documented in 2006 (PMID: 16707694). Based on a literature review a significant number of articles have been published on Oxydifficidin (PMID: 35385917) (PMID: 34451760) (PMID: 34180603) (PMID: 34139525) (PMID: 31973849) (PMID: 17844999).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072203162D          

 39 39  0  0  0  0            999 V2000
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  8 39  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072203162D          

 39 39  0  0  0  0            999 V2000
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    4.4360   -2.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6856   -2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8690   -2.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524   -2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020   -2.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6785   -1.4856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2324   -0.7916    0.0000 C   0  0  0  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
   -0.8166   -0.1174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8166    0.9424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2324    1.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5180    1.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6785    2.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3020    2.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8559    3.5449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0524    3.1936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  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  2  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
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
  8 39  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0241250

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1C(O)\C=C/C=C\C=C/CCCC(OP(O)(O)=O)\C(C)=C/C=C\CC(CC\C(C)=C\C=C)OC(=O)CC1=C

> <INCHI_IDENTIFIER>
InChI=1S/C31H45O7P/c1-6-16-24(2)21-22-28-18-15-14-17-25(3)30(38-39(34,35)36)20-13-11-9-7-8-10-12-19-29(32)27(5)26(4)23-31(33)37-28/h6-10,12,14-17,19,27-30,32H,1,4,11,13,18,20-23H2,2-3,5H3,(H2,34,35,36)/b9-7-,10-8-,15-14-,19-12-,24-16+,25-17-

> <INCHI_KEY>
DRXGPYFQEKBQBQ-MUPVVFKXSA-N

> <FORMULA>
C31H45O7P

> <MOLECULAR_WEIGHT>
560.668

> <EXACT_MASS>
560.290290787

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
61.22076002105452

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
{[(4Z,6Z,12Z,14Z,16Z)-18-hydroxy-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxy}phosphonic acid

> <JCHEM_LOGP>
6.154953253666666

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
6.911748080097727

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.8823758603341587

> <JCHEM_PKA_STRONGEST_BASIC>
-1.1954799519429167

> <JCHEM_POLAR_SURFACE_AREA>
113.29

> <JCHEM_REFRACTIVITY>
163.88120000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
[(4Z,6Z,12Z,14Z,16Z)-18-hydroxy-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       6.689  13.111   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.355  12.341   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.355  10.801   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.022  10.031   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.688  10.801   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.022   8.491   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.355   7.721   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.355   6.181   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.880   5.961   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.281   5.322   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       9.444   4.313   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.277   3.018   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.711   1.540   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      12.235   1.759   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.711   0.000   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      12.235  -0.219   0.000  0.00  0.00           O+0
HETATM   17  P   UNK     0      12.808  -1.649   0.000  0.00  0.00           P+0
HETATM   18  O   UNK     0      11.378  -2.221   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      14.237  -1.076   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      13.380  -3.079   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      10.277  -1.478   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       9.444  -2.773   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.281  -3.782   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.880  -4.421   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.355  -4.641   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.831  -4.421   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.430  -3.782   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.266  -2.773   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.434  -1.478   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      -1.524  -0.219   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      -0.000   1.540   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      -1.524   1.759   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       0.434   3.018   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -0.967   3.657   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       1.266   4.313   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.430   5.322   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       1.598   6.617   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       3.831   5.961   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                                                       
CONECT    8    7    9   39                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   21                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   19   20                                             
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20   17                                                            
CONECT   21   15   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37    8                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₁H₄₅O₇P

Average Mass

560.6680 Da

Monoisotopic Mass

560.29029 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC1C(O)\C=C/C=C\C=C/CCCC(OP(O)(O)=O)\C(C)=C/C=C\CC(CC\C(C)=C\C=C)OC(=O)CC1=C

InChI Identifier

InChI=1S/C31H45O7P/c1-6-16-24(2)21-22-28-18-15-14-17-25(3)30(38-39(34,35)36)20-13-11-9-7-8-10-12-19-29(32)27(5)26(4)23-31(33)37-28/h6-10,12,14-17,19,27-30,32H,1,4,11,13,18,20-23H2,2-3,5H3,(H2,34,35,36)/b9-7-,10-8-,15-14-,19-12-,24-16+,25-17-

InChI Key

DRXGPYFQEKBQBQ-MUPVVFKXSA-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Monoalkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Carboxylic acid ester
Lactone
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organooxygen compound
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic 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

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

4948033

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6444091

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Han VC, Yu NH, Yoon H, Ahn NH, Son YK, Lee BH, Kim JC: Identification, Characterization, and Efficacy Evaluation of Bacillus velezensis for Shot-Hole Disease Biocontrol in Flowering Cherry. Plant Pathol J. 2022 Apr;38(2):115-130. doi: 10.5423/PPJ.OA.01.2022.0004. Epub 2022 Apr 1. [PubMed:35385917 ]
Nifakos K, Tsalgatidou PC, Thomloudi EE, Skagia A, Kotopoulis D, Baira E, Delis C, Papadimitriou K, Markellou E, Venieraki A, Katinakis P: Genomic Analysis and Secondary Metabolites Production of the Endophytic Bacillus velezensis Bvel1: A Biocontrol Agent against Botrytis cinerea Causing Bunch Rot in Post-Harvest Table Grapes. Plants (Basel). 2021 Aug 20;10(8):1716. doi: 10.3390/plants10081716. [PubMed:34451760 ]
Dagher F, Nickzad A, Zheng J, Hoffmann M, Deziel E: Characterization of the biocontrol activity of three bacterial isolates against the phytopathogen Erwinia amylovora. Microbiologyopen. 2021 Jun;10(3):e1202. doi: 10.1002/mbo3.1202. [PubMed:34180603 ]
Zhou P, Huang H, Lu J, Zhu Z, Xie J, Xia L, Luo S, Zhou K, Chen W, Ding X: The mutated Bacillus amyloliquefaciens strain shows high resistance to Aeromonas hydrophila and Aeromonas veronii in grass carp. Microbiol Res. 2021 Sep;250:126801. doi: 10.1016/j.micres.2021.126801. Epub 2021 Jun 3. [PubMed:34139525 ]
Im SM, Yu NH, Joen HW, Kim SO, Park HW, Park AR, Kim JC: Biological control of tomato bacterial wilt by oxydifficidin and difficidin-producing Bacillus methylotrophicus DR-08. Pestic Biochem Physiol. 2020 Feb;163:130-137. doi: 10.1016/j.pestbp.2019.11.007. Epub 2019 Nov 9. [PubMed:31973849 ]
Schneider K, Chen XH, Vater J, Franke P, Nicholson G, Borriss R, Sussmuth RD: Macrolactin is the polyketide biosynthesis product of the pks2 cluster of Bacillus amyloliquefaciens FZB42. J Nat Prod. 2007 Sep;70(9):1417-23. doi: 10.1021/np070070k. Epub 2007 Sep 11. [PubMed:17844999 ]
Chen XH, Vater J, Piel J, Franke P, Scholz R, Schneider K, Koumoutsi A, Hitzeroth G, Grammel N, Strittmatter AW, Gottschalk G, Sussmuth RD, Borriss R: Structural and functional characterization of three polyketide synthase gene clusters in Bacillus amyloliquefaciens FZB 42. J Bacteriol. 2006 Jun;188(11):4024-36. doi: 10.1128/JB.00052-06. [PubMed:16707694 ]
LOTUS database [Link]

Showing NP-Card for [(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid (NP0241250)

MOL for NP0241250 ([(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid)

3D MOL for NP0241250 ([(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid)

3D SDF for NP0241250 ([(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid)

3D-SDF for NP0241250 ([(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid)

PDB for NP0241250 ([(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid)

3D PDB for NP0241250 ([(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid)

SMILES for NP0241250 ([(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid)

INCHI for NP0241250 ([(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid)

Structure for NP0241250 ([(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid)

3D Structure for NP0241250 ([(4z,6z,12z,14z,16z)-18-hydroxy-7,19-dimethyl-2-[(3e)-3-methylhexa-3,5-dien-1-yl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl]oxyphosphonic acid)