NP-MRD: Showing NP-Card for Eutypetide J (NP0352178)

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Record Information

Version

2.0

Created at

2026-01-23 02:01:43 UTC

Updated at

2026-03-04 03:36:41 UTC

NP-MRD ID

NP0352178

Natural Product DOI

https://doi.org/10.57994/5263

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Eutypetide J

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 02202323162D          

 26 28  0  0  1  0            999 V2000
    2.1926   -1.1577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683   -0.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4419    0.0582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7399   -0.3752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7642   -1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703    0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460    0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1197    1.3162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0954    2.1408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6913    1.2741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7156    0.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6182    2.1607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2839    2.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1451    2.4739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2555    3.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7979    1.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876    1.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107    0.8407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0610    1.6642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0136    0.0161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0914   -0.8022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7879   -0.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2213    0.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440    0.5849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526    0.2014    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
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21  4  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 10 26  2  0  0  0  0
M  END


  Mrv2104 02202323162D          

 26 28  0  0  1  0            999 V2000
    2.1926   -1.1577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683   -0.3331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4419    0.0582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7399   -0.3752    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7642   -1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8703    0.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8460    0.9249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1197    1.3162    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0954    2.1408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4176    0.8828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6913    1.2741    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7156    0.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6182    2.1607    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2839    2.6480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1451    2.4739    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2555    3.2915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7979    1.9695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6876    1.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0107    0.8407    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0610    1.6642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0136    0.0161    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0914   -0.8022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7879   -0.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2213    0.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0440    0.5849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9526    0.2014    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
  4  3  1  0  0  0  0
  4  5  1  6  0  0  0
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 19 18  1  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  1  0  0  0
 19 21  1  0  0  0  0
 21  4  1  0  0  0  0
 21 22  1  6  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 18 24  1  0  0  0  0
 24 25  2  0  0  0  0
 10 26  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0352178

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]12OC(=O)C3=C[C@H](O)[C@@H](C)[C@@]([H])(C(=O)[C@@H](O)CCC(=O)O[C@@H]1C)[C@]23[H]

> <INCHI_IDENTIFIER>
InChI=1S/C16H20O7/c1-6-10(18)5-8-13-12(6)14(20)9(17)3-4-11(19)22-7(2)15(13)23-16(8)21/h5-7,9-10,12-13,15,17-18H,3-4H2,1-2H3/t6-,7-,9+,10+,12-,13-,15-/m1/s1

> <INCHI_KEY>
HSHKTEIKILODPP-VEVRNFFISA-N

> <FORMULA>
C16H20O7

> <MOLECULAR_WEIGHT>
324.329

> <EXACT_MASS>
324.120902984

$$$$

HEADER    PROTEIN                                 20-FEB-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-FEB-23         0                                  
HETATM    1  O   UNK     0       4.093  -2.161   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       4.047  -0.622   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       2.692   0.109   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       1.381  -0.700   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.427  -2.240   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.358   0.187   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.312   1.726   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.957   2.457   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       3.911   3.996   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       2.646   1.648   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.290   2.378   0.000  0.00  0.00           C+0
HETATM   12  H   UNK     0       1.336   0.839   0.000  0.00  0.00           H+0
HETATM   13  C   UNK     0       1.154   4.033   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.397   4.943   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.271   4.618   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      -0.477   6.144   0.000  0.00  0.00           O+0
HETATM   17  C   UNK     0      -1.490   3.676   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -1.283   2.150   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -0.020   1.569   0.000  0.00  0.00           C+0
HETATM   20  H   UNK     0      -0.114   3.106   0.000  0.00  0.00           H+0
HETATM   21  C   UNK     0       0.025   0.030   0.000  0.00  0.00           C+0
HETATM   22  H   UNK     0      -0.171  -1.497   0.000  0.00  0.00           H+0
HETATM   23  O   UNK     0      -1.471  -0.334   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      -2.280   0.976   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -3.815   1.092   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       1.778   0.376   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    6                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   21                                                  
CONECT    5    4                                                            
CONECT    6    2    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   26                                                  
CONECT   11   10   12   13   19                                             
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   24                                                  
CONECT   19   18   11   20   21                                             
CONECT   20   19                                                            
CONECT   21   19    4   22   23                                             
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   18   25                                                  
CONECT   25   24                                                            
CONECT   26   10                                                            
MASTER        0    0    0    0    0    0    0    0   26    0   56    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₆H₂₀O₇

Average Mass

324.3290 Da

Monoisotopic Mass

324.12090 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

[H][C@@]12OC(=O)C3=C[C@H](O)[C@@H](C)[C@@]([H])(C(=O)[C@@H](O)CCC(=O)O[C@@H]1C)[C@]23[H]

InChI Identifier

InChI=1S/C16H20O7/c1-6-10(18)5-8-13-12(6)14(20)9(17)3-4-11(19)22-7(2)15(13)23-16(8)21/h5-7,9-10,12-13,15,17-18H,3-4H2,1-2H3/t6-,7-,9+,10+,12-,13-,15-/m1/s1

InChI Key

HSHKTEIKILODPP-VEVRNFFISA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Not Available	huangqingxia	2026-01-23	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Not Available	huangqingxia	2026-01-23	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Not Available	huangqingxia	2026-01-23	View Spectrum
1D_DEPT NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)	[email protected]	Not Available	huangqingxia	2026-01-23	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 400 MHz, CD3OD, experimental)	[email protected]	Not Available	huangqingxia	2026-01-23	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, CD3OD, experimental)	[email protected]	Not Available	huangqingxia	2026-01-23	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CD3OD, experimental)	[email protected]	Not Available	huangqingxia	2026-01-23	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

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

Not Available

References

General References

Showing NP-Card for Eutypetide J (NP0352178)

MOL for NP0352178 (Eutypetide J)

3D MOL for NP0352178 (Eutypetide J)

3D SDF for NP0352178 (Eutypetide J)

3D-SDF for NP0352178 (Eutypetide J)

PDB for NP0352178 (Eutypetide J)

3D PDB for NP0352178 (Eutypetide J)

SMILES for NP0352178 (Eutypetide J)

INCHI for NP0352178 (Eutypetide J)

Structure for NP0352178 (Eutypetide J)

3D Structure for NP0352178 (Eutypetide J)