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Showing NP-Card for (2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid (NP0353703)

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Record Information
Version2.0
Created at2026-02-24 19:46:11 UTC
Updated at2026-02-24 20:09:30 UTC
NP-MRD IDNP0353703
Natural Product DOIhttps://doi.org/10.57994/8242
Secondary Accession NumbersNone
Natural Product Identification
Common Name(2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid
Description (2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid was first documented in 2021 (PMID: 34495663).
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0353703 ((2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid)


  Mrv2104 03252316582D          

 21 20  0  0  0  0            999 V2000
    2.2836   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993   -1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1427   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5717   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5717   -0.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0006   -0.9059    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  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  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
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
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3D MOL for NP0353703 ((2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid)

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3D SDF for NP0353703 ((2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid)

  Mrv2104 03252316582D          

 21 20  0  0  0  0            999 V2000
    2.2836   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9980   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4270   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1414   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5704   -1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2849   -3.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9993   -1.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4283   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1427   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5717   -2.5559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862   -2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2862   -1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5717   -0.9059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0006   -0.9059    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  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  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
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353703

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCC(=O)C(O)C(O)\C=C\C=C\C=C/C(O)=O

> <INCHI_IDENTIFIER>
InChI=1/C16H24O5/c1-2-3-4-7-10-13(17)16(21)14(18)11-8-5-6-9-12-15(19)20/h5-6,8-9,11-12,14,16,18,21H,2-4,7,10H2,1H3,(H,19,20)/b6-5+,11-8+,12-9-

> <INCHI_KEY>
QUQYAAHRVDRIBZ-FORVTIRSNA-N

> <FORMULA>
C16H24O5

> <MOLECULAR_WEIGHT>
296.363

> <EXACT_MASS>
296.162373873

$$$$

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3D-SDF for NP0353703 ((2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid)
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PDB for NP0353703 ((2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid)
HEADER    PROTEIN                                 25-MAR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-MAR-23         0                                  
HETATM    1  C   UNK     0       4.263  -4.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.596  -4.771   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.930  -4.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.264  -4.771   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.597  -4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.931  -4.771   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      12.265  -4.001   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      12.265  -2.461   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      13.598  -4.771   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      13.598  -6.311   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      14.932  -4.001   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      14.932  -2.461   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      16.266  -4.771   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      17.599  -4.001   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      18.933  -4.771   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      20.267  -4.001   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      21.600  -4.771   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      22.934  -4.001   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      22.934  -2.461   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      21.600  -1.691   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      24.268  -1.691   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    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                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   40    0
END

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3D PDB for NP0353703 ((2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid)
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SMILES for NP0353703 ((2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid)
CCCCCCC(=O)C(O)C(O)\C=C\C=C\C=C/C(O)=O
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INCHI for NP0353703 ((2Z,4E,6E,8*,9*)-8,9-Dihydroxy-10-oxohexadeca-2,4,6-trienoic acid)
InChI=1/C16H24O5/c1-2-3-4-7-10-13(17)16(21)14(18)11-8-5-6-9-12-15(19)20/h5-6,8-9,11-12,14,16,18,21H,2-4,7,10H2,1H3,(H,19,20)/b6-5+,11-8+,12-9-
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SynonymsNot Available
Chemical FormulaC16H24O5
Average Mass296.3630 Da
Monoisotopic Mass296.16237 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
CCCCCCC(=O)C(O)C(O)\C=C\C=C\C=C/C(O)=O
InChI Identifier
InChI=1/C16H24O5/c1-2-3-4-7-10-13(17)16(21)14(18)11-8-5-6-9-12-15(19)20/h5-6,8-9,11-12,14,16,18,21H,2-4,7,10H2,1H3,(H,19,20)/b6-5+,11-8+,12-9-
InChI KeyQUQYAAHRVDRIBZ-FORVTIRSNA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Strobiloscypha sp. AZ0266
      Not Available
Chemical Taxonomy
ClassificationNot classified
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
External LinksNot Available
References
General References
  1. DOI: 10.1021/acs.jnatprod.1c00662