NP-MRD: Showing NP-Card for (2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid (NP0220557)

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Record Information

Version

1.0

Created at

2022-09-05 21:54:26 UTC

Updated at

2022-09-05 21:54:26 UTC

NP-MRD ID

NP0220557

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

Description

(24E)-3,4-Secocucurbita-4,24-diene-3,26-dioic acid belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid is found in Russula lepida. Based on a literature review very few articles have been published on (24E)-3,4-Secocucurbita-4,24-diene-3,26-dioic acid.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652309052223542D          

 34 36  0  0  1  0            999 V2000
   -0.6102   -1.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2203   -0.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6549   -0.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043   -0.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9943   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2535   -0.7992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0781   -0.7735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7192   -0.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3745   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3140   -1.2781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9440   -1.8107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7978   -2.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7203   -1.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3503   -2.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1266   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7566   -2.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6104   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5329   -2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1629   -2.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6791   -1.2260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5127   -1.4747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0183   -2.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228   -2.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8636   -1.5262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4736   -2.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390   -1.5520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6490   -2.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836   -2.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936   -3.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -3.7330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -4.4085    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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  1  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
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 12 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
  4 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END


  Mrv1652309052223542D          

 34 36  0  0  1  0            999 V2000
   -0.6102   -1.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2203   -0.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6549   -0.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6043   -0.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9943   -0.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8189   -0.0980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2535   -0.7992    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0781   -0.7735    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7192   -0.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3745   -0.4553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3140   -1.2781    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9440   -1.8107    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.7978   -2.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7203   -1.5314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3503   -2.0640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1266   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7566   -2.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6104   -3.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5329   -2.0380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1629   -2.5706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6791   -1.2260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5127   -1.4747    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.0183   -2.1267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1228   -2.2017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -2.2275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8636   -1.5262    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4736   -2.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0390   -1.5520    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6490   -2.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0836   -2.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6936   -3.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1310   -3.7330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -4.4085    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
  2  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  7  6  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  6  0  0  0
 13 14  1  1  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
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 12 23  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  7 27  1  0  0  0  0
 27 28  1  6  0  0  0
 27 29  1  0  0  0  0
  4 29  1  0  0  0  0
 29 30  1  6  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0220557

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CCC([C@@H](CCC(O)=O)[C@]3(C)CC[C@]12C)=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C30H48O4/c1-19(2)22-11-13-25-28(5,24(22)12-14-26(31)32)17-18-29(6)23(15-16-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,20,23-25H,8-9,11-18H2,1-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,23-,24-,25-,28+,29-,30+/m1/s1

> <INCHI_KEY>
YBIIHHTTWQAQQS-ADEQFILDSA-N

> <FORMULA>
C30H48O4

> <MOLECULAR_WEIGHT>
472.71

> <EXACT_MASS>
472.355260026

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
82

> <JCHEM_AVERAGE_POLARIZABILITY>
56.41412893456226

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

> <JCHEM_LOGP>
7.417181869666666

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
5.181311488145843

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.5576780529112195

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
138.3399

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic 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      -1.139  -2.993   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.411  -1.636   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.222  -0.327   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.128  -1.588   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.856  -0.231   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.395  -0.183   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.207  -1.492   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.746  -1.444   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.076  -0.057   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.740  -0.268   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       8.166  -0.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.053  -2.386   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.229  -3.380   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.956  -4.896   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      10.678  -2.859   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      11.854  -3.853   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      13.303  -3.331   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.479  -4.326   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      14.206  -5.841   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      15.928  -3.804   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      17.104  -4.798   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      16.201  -2.289   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       6.557  -2.753   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.501  -3.970   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.829  -4.110   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.290  -4.158   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.479  -2.849   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.751  -4.206   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.939  -2.897   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.211  -4.254   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.023  -5.563   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.295  -6.920   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -0.245  -6.968   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       2.106  -8.229   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5   29                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8   27                                                  
CONECT    8    7    9   10   23                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   23                                                  
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
CONECT   23   12    8   24   25                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26    7   28   29                                             
CONECT   28   27                                                            
CONECT   29   27    4   30                                                  
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
MASTER        0    0    0    0    0    0    0    0   34    0   72    0
END

View in JSmol

Synonyms

Value	Source
(24E)-3,4-Secocucurbita-4,24-diene-3,26-dioate	Generator

Chemical Formula

C₃₀H₄₈O₄

Average Mass

472.7100 Da

Monoisotopic Mass

472.35526 Da

IUPAC Name

(2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-dodecahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

Traditional Name

(2E,6R)-6-[(3R,3aR,5aS,6S,9aR,9bS)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid

CAS Registry Number

Not Available

SMILES

C[C@H](CC\C=C(/C)C(O)=O)[C@H]1CC[C@@]2(C)[C@@H]3CCC([C@@H](CCC(O)=O)[C@]3(C)CC[C@]12C)=C(C)C

InChI Identifier

InChI=1S/C30H48O4/c1-19(2)22-11-13-25-28(5,24(22)12-14-26(31)32)17-18-29(6)23(15-16-30(25,29)7)20(3)9-8-10-21(4)27(33)34/h10,20,23-25H,8-9,11-18H2,1-7H3,(H,31,32)(H,33,34)/b21-10+/t20-,23-,24-,25-,28+,29-,30+/m1/s1

InChI Key

YBIIHHTTWQAQQS-ADEQFILDSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Russula lepida	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Carbocyclic fatty acid
Medium-chain fatty acid
Branched fatty acid
Methyl-branched fatty acid
Dicarboxylic acid or derivatives
Unsaturated fatty acid
Fatty acyl
Fatty acid
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Organic oxide
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic 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	7.42	ChemAxon
pKa (Strongest Acidic)	4.56	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.6 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	138.34 m³·mol⁻¹	ChemAxon
Polarizability	56.41 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

78441937

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

101095217

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid (NP0220557)

MOL for NP0220557 ((2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid)

3D MOL for NP0220557 ((2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid)

3D SDF for NP0220557 ((2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid)

3D-SDF for NP0220557 ((2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid)

PDB for NP0220557 ((2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid)

3D PDB for NP0220557 ((2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid)

SMILES for NP0220557 ((2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid)

INCHI for NP0220557 ((2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid)

Structure for NP0220557 ((2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid)

3D Structure for NP0220557 ((2e,6r)-6-[(3r,3ar,5as,6s,9ar,9bs)-6-(2-carboxyethyl)-3a,5a,9b-trimethyl-7-(propan-2-ylidene)-octahydro-1h-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acid)