Np mrd loader

Showing NP-Card for trichocarotin P (NP0351966)

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Record Information
Version2.0
Created at2025-12-05 13:09:04 UTC
Updated at2025-12-06 01:00:34 UTC
NP-MRD IDNP0351966
Natural Product DOIhttps://doi.org/10.57994/5039
Secondary Accession NumbersNone
Natural Product Identification
Common Nametrichocarotin P
DescriptionNot Available
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0351966 (trichocarotin P)


  Mrv2104 01032310282D          

 20 22  0  0  1  0            999 V2000
    0.4685   -2.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0898   -1.6729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5647   -2.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864   -2.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179   -3.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4850   -1.1118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3245   -1.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8317   -0.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6508   -0.4616    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3494    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1842    0.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088    0.1431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3888    0.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5037   -0.5170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0915   -1.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962   -1.3154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5426   -1.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103   -1.2711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8227   -2.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  1  0  0  0
 14 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 14 17  1  0  0  0  0
 17 15  1  6  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19  9  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  1  0  0  0
M  END
Download

3D MOL for NP0351966 (trichocarotin P)

Download
3D SDF for NP0351966 (trichocarotin P)

  Mrv2104 01032310282D          

 20 22  0  0  1  0            999 V2000
    0.4685   -2.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0898   -1.6729    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5647   -2.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864   -2.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2179   -3.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4850   -1.1118    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3245   -1.2713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8317   -0.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6508   -0.4616    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3494    0.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1842    0.1677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0088    0.1431    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3888    0.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5037   -0.5170    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0915   -1.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1250    0.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962   -1.3154    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5426   -1.6511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103   -1.2711    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8227   -2.0960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  6  0  0  0
  9 11  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  1  0  0  0
 14 12  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  1  0  0  0
 14 17  1  0  0  0  0
 17 15  1  6  0  0  0
 17 18  1  0  0  0  0
 19 18  1  0  0  0  0
 19  9  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0351966

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@]12C[C@H]3O[C@@]3(C)[C@H](O)C[C@]1(C)C[C@@H](O)[C@]2(O)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C15H26O4/c1-8(2)15(18)9-5-12-14(4,19-12)10(16)6-13(9,3)7-11(15)17/h8-12,16-18H,5-7H2,1-4H3/t9-,10+,11+,12+,13+,14-,15-/m0/s1

> <INCHI_KEY>
HKCBYYHYMIVUAC-CHTYRUGESA-N

> <FORMULA>
C15H26O4

> <MOLECULAR_WEIGHT>
270.369

> <EXACT_MASS>
270.183109317

$$$$

Download
3D-SDF for NP0351966 (trichocarotin P)
Download
PDB for NP0351966 (trichocarotin P)
HEADER    PROTEIN                                 03-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-JAN-23         0                                  
HETATM    1  O   UNK     0       0.875  -4.136   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       2.034  -3.123   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.921  -4.382   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.455  -4.244   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.273  -5.779   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.905  -2.075   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -0.606  -2.373   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       1.553  -0.678   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.082  -0.862   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.519   0.572   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       4.077   0.313   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.617   0.267   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.326   1.634   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.540  -0.965   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.637  -2.046   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       7.700   0.048   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.153  -2.456   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.746  -3.082   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       3.379  -2.373   0.000  0.00  0.00           C+0
HETATM   20  H   UNK     0       3.402  -3.912   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3    6   19                                             
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    2    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11   19                                             
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16   17                                             
CONECT   15   14   17                                                       
CONECT   16   14                                                            
CONECT   17   14   15   18                                                  
CONECT   18   17   19                                                       
CONECT   19   18    9    2   20                                             
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   44    0
END

Download
3D PDB for NP0351966 (trichocarotin P)
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SMILES for NP0351966 (trichocarotin P)
[H][C@]12C[C@H]3O[C@@]3(C)[C@H](O)C[C@]1(C)C[C@@H](O)[C@]2(O)C(C)C
Download
INCHI for NP0351966 (trichocarotin P)
InChI=1S/C15H26O4/c1-8(2)15(18)9-5-12-14(4,19-12)10(16)6-13(9,3)7-11(15)17/h8-12,16-18H,5-7H2,1-4H3/t9-,10+,11+,12+,13+,14-,15-/m0/s1
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View in JSmol
SynonymsNot Available
Chemical FormulaC15H26O4
Average Mass270.3690 Da
Monoisotopic Mass270.18311 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
[H][C@]12C[C@H]3O[C@@]3(C)[C@H](O)C[C@]1(C)C[C@@H](O)[C@]2(O)C(C)C
InChI Identifier
InChI=1S/C15H26O4/c1-8(2)15(18)9-5-12-14(4,19-12)10(16)6-13(9,3)7-11(15)17/h8-12,16-18H,5-7H2,1-4H3/t9-,10+,11+,12+,13+,14-,15-/m0/s1
InChI KeyHKCBYYHYMIVUAC-CHTYRUGESA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D_DEPT NMR13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
1D_DEPT NMR13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
HSQC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
NOESY NMR[1H, 1H] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 500 MHz, CDCl3, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
1D NMR1H NMR Spectrum (1D, 500 MHz, CDCl3, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, CDCl3, experimental)nyji@yic.ac.cnYantai Institute of Coastal Zone Research, Chinese Academy of SciencesNai-Yun Ji2025-12-05View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Trichoderma
      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