NP-MRD: Showing NP-Card for (6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid (NP0145700)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-02 00:57:04 UTC

Updated at

2022-09-02 00:57:04 UTC

NP-MRD ID

NP0145700

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid

Description

Egregiachloride a belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Thus, egregiachloride a is considered to be an eicosanoid. (6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid is found in Egregia menziesii. Based on a literature review very few articles have been published on Egregiachloride a.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 50  0  0  0  0  0  0  0  0999 V2000
   -3.1654   -1.4427    3.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239   -1.2227    1.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2060    0.1800    1.2336 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1594    1.2682    2.2804 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.3162    0.6267   -0.1824 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6222    0.5244   -0.8448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6211   -0.6299   -1.7895 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1272   -1.8642   -1.3909 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1796   -1.0552   -1.9492 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3374   -0.1057   -1.1146 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7872    0.8789   -2.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5204    1.1478   -2.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4954    0.4838   -1.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2417    1.4982   -0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5291    1.6420   -0.6200 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4279    0.9173   -1.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4566    0.2142   -0.5996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7536   -0.7265    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6617   -1.4701    1.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3878   -0.5537    2.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1920    0.6681    2.1381 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3511   -1.0105    3.0565 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0641   -1.5682    3.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4147   -0.5055    3.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6670   -2.3240    3.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8383   -1.9400    1.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5467   -1.5529    1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1299    0.3573    1.5318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9915    1.7119   -0.1748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7765    1.4408   -1.4928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5017    0.5408   -0.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2117   -0.5680   -2.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7944   -1.2617   -2.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6687   -0.6310   -0.4426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4781    1.4170   -2.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1421    1.9056   -2.8389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1655   -0.0653   -2.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667   -0.2676   -0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975    2.1231    0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0077    2.4096    0.0223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0828    1.6438   -2.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0397    0.1432   -2.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0897    0.9436   -0.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1358   -0.4155   -1.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2000   -1.4941   -0.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9641   -0.2011    0.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0379   -2.1456    1.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3821   -2.0956    0.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3253   -0.7316    2.9979 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
  3  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  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 22  1  0
 20 21  2  0
 10  5  1  0
  9  7  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  1
  5 29  1  1
  6 30  1  0
  6 31  1  0
  7 32  1  6
  9 33  1  6
 10 34  1  1
 11 35  1  0
 12 36  1  0
 13 37  1  0
 13 38  1  0
 14 39  1  0
 15 40  1  0
 16 41  1  0
 16 42  1  0
 17 43  1  0
 17 44  1  0
 18 45  1  0
 18 46  1  0
 19 47  1  0
 19 48  1  0
 22 49  1  0
M  END

  Mrv1652309022202572D          

 22 23  0  0  1  0            999 V2000
    4.5798    7.9498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4083    7.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6237    6.8879    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0106    7.4399    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4522    6.0809    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0042    5.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5917    4.7534    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0397    4.1403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    4.9249    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6985    5.7454    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9840    6.1579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    4.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5551    3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2695    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9840    3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6985    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4130    3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8419    3.6829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1274    2.4454    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  1  0  0  0
  5  3  1  6  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  6  0  0  0
  9  8  1  6  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  1  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  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  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0145700

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1\C=C/C\C=C/CCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H27ClO3/c1-2-15(19)14-12-16-18(22-16)13(14)10-8-6-4-3-5-7-9-11-17(20)21/h3-4,8,10,13-16,18H,2,5-7,9,11-12H2,1H3,(H,20,21)/b4-3-,10-8-/t13-,14+,15-,16-,18+/m0/s1

> <INCHI_KEY>
BUSAMCWWFKPNGV-SOVGUPCDSA-N

> <FORMULA>
C18H27ClO3

> <MOLECULAR_WEIGHT>
326.86

> <EXACT_MASS>
326.1648724

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
36.05000030032764

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(6Z,9Z)-10-[(1R,2S,3R,5S)-3-[(1S)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid

> <ALOGPS_LOGP>
5.48

> <JCHEM_LOGP>
4.466913981666666

> <ALOGPS_LOGS>
-5.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.922492763568032

> <JCHEM_PKA_STRONGEST_BASIC>
-4.207036421508337

> <JCHEM_POLAR_SURFACE_AREA>
49.83

> <JCHEM_REFRACTIVITY>
90.69919999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.63e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(6Z,9Z)-10-[(1R,2S,3R,5S)-3-[(1S)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0       8.549  14.840   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       8.229  13.333   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.764  12.857   0.000  0.00  0.00           C+0
HETATM    4 Cl   UNK     0       5.620  13.888   0.000  0.00  0.00          Cl+0
HETATM    5  C   UNK     0       6.444  11.351   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       7.474  10.207   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.704   8.873   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0       5.674   7.729   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0       5.198   9.193   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.037  10.725   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.703  11.495   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.370  10.725   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.370   9.185   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.036   8.415   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.036   6.875   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.370   6.105   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.703   6.875   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.037   6.105   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.371   6.875   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.705   6.105   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       9.038   6.875   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       7.705   4.565   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7    9                                                       
CONECT    9    8    7   10                                                  
CONECT   10    9    5   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   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₇ClO₃

Average Mass

326.8600 Da

Monoisotopic Mass

326.16487 Da

IUPAC Name

(6Z,9Z)-10-[(1R,2S,3R,5S)-3-[(1S)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid

Traditional Name

(6Z,9Z)-10-[(1R,2S,3R,5S)-3-[(1S)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid

CAS Registry Number

Not Available

SMILES

CC[C@H](Cl)[C@@H]1C[C@@H]2O[C@@H]2[C@H]1\C=C/C\C=C/CCCCC(O)=O

InChI Identifier

InChI=1S/C18H27ClO3/c1-2-15(19)14-12-16-18(22-16)13(14)10-8-6-4-3-5-7-9-11-17(20)21/h3-4,8,10,13-16,18H,2,5-7,9,11-12H2,1H3,(H,20,21)/b4-3-,10-8-/t13-,14+,15-,16-,18+/m0/s1

InChI Key

BUSAMCWWFKPNGV-SOVGUPCDSA-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
Egregia menziesii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Medium-chain fatty acids

Alternative Parents

Substituents

Medium-chain fatty acid
Halogenated fatty acid
Heterocyclic fatty acid
Oxane
Unsaturated fatty acid
Carboxylic acid derivative
Carboxylic acid
Dialkyl ether
Oxirane
Ether
Monocarboxylic acid or derivatives
Oxacycle
Organoheterocyclic compound
Organic oxygen compound
Organic oxide
Alkyl chloride
Organohalogen compound
Organochloride
Organooxygen compound
Hydrocarbon derivative
Alkyl halide
Carbonyl group
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Clavulones and derivatives (LMFA03120052 )

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	5.48	ALOGPS
logP	4.47	ChemAxon
logS	-5.5	ALOGPS
pKa (Strongest Acidic)	4.92	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	49.83 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	90.7 m³·mol⁻¹	ChemAxon
Polarizability	36.05 Å³	ChemAxon
Number of Rings	2	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

Not Available

Chemspider ID

23339750

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44566926

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid (NP0145700)

MOL for NP0145700 ((6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid)

3D MOL for NP0145700 ((6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid)

3D SDF for NP0145700 ((6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid)

3D-SDF for NP0145700 ((6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid)

PDB for NP0145700 ((6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid)

3D PDB for NP0145700 ((6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid)

SMILES for NP0145700 ((6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid)

INCHI for NP0145700 ((6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid)

Structure for NP0145700 ((6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid)

3D Structure for NP0145700 ((6z,9z)-10-[(1r,2s,3r,5s)-3-[(1s)-1-chloropropyl]-6-oxabicyclo[3.1.0]hexan-2-yl]deca-6,9-dienoic acid)