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Showing NP-Card for Sarcothiazic acid (NP0353845)

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Record Information
Version2.0
Created at2026-03-09 09:01:11 UTC
Updated at2026-04-29 03:35:08 UTC
NP-MRD IDNP0353845
Natural Product DOIhttps://doi.org/10.57994/8406
Secondary Accession NumbersNone
Natural Product Identification
Common NameSarcothiazic acid
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0353845 (Sarcothiazic acid)


  Mrv2104 04072306122D          

 17 17  0  0  0  0            999 V2000
    3.8583   -4.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5727   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2872   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0017   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7161   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4306   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1451   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8596   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5740   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2885   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0030   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7174   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4711   -4.9411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0232   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6107   -6.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8037   -6.0971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5727   -6.1017    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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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
 12 16  1  0  0  0  0
  2 17  2  0  0  0  0
M  END
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3D MOL for NP0353845 (Sarcothiazic acid)

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3D SDF for NP0353845 (Sarcothiazic acid)

  Mrv2104 04072306122D          

 17 17  0  0  0  0            999 V2000
    3.8583   -4.8642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5727   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2872   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0017   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7161   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4306   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1451   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8596   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5740   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2885   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0030   -4.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7174   -5.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4711   -4.9411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0232   -5.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6107   -6.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8037   -6.0971    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.5727   -6.1017    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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  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
 12 16  1  0  0  0  0
  2 17  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0353845

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC(=O)CCCCCCCCCC1=NC=CS1

> <INCHI_IDENTIFIER>
InChI=1S/C13H21NO2S/c15-13(16)9-7-5-3-1-2-4-6-8-12-14-10-11-17-12/h10-11H,1-9H2,(H,15,16)

> <INCHI_KEY>
AVTPHFAHOHFZTM-UHFFFAOYSA-N

> <FORMULA>
C13H21NO2S

> <MOLECULAR_WEIGHT>
255.38

> <EXACT_MASS>
255.129300094

$$$$

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3D-SDF for NP0353845 (Sarcothiazic acid)
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PDB for NP0353845 (Sarcothiazic acid)
HEADER    PROTEIN                                 07-APR-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-APR-23         0                                  
HETATM    1  O   UNK     0       7.202  -9.080   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       8.536  -9.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.869  -9.080   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.203  -9.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.537  -9.080   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.870  -9.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      15.204  -9.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      16.538  -9.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      17.872  -9.080   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      19.205  -9.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      20.539  -9.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      21.873  -9.850   0.000  0.00  0.00           C+0
HETATM   13  N   UNK     0      23.279  -9.223   0.000  0.00  0.00           N+0
HETATM   14  C   UNK     0      24.310 -10.368   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      23.540 -11.702   0.000  0.00  0.00           C+0
HETATM   16  S   UNK     0      22.034 -11.381   0.000  0.00  0.00           S+0
HETATM   17  O   UNK     0       8.536 -11.390   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   17                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   16                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   12                                                       
CONECT   17    2                                                            
MASTER        0    0    0    0    0    0    0    0   17    0   34    0
END

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3D PDB for NP0353845 (Sarcothiazic acid)
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SMILES for NP0353845 (Sarcothiazic acid)
OC(=O)CCCCCCCCCC1=NC=CS1
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INCHI for NP0353845 (Sarcothiazic acid)
InChI=1S/C13H21NO2S/c15-13(16)9-7-5-3-1-2-4-6-8-12-14-10-11-17-12/h10-11H,1-9H2,(H,15,16)
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SynonymsNot Available
Chemical FormulaC13H21NO2S
Average Mass255.3800 Da
Monoisotopic Mass255.12930 Da
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILES
OC(=O)CCCCCCCCCC1=NC=CS1
InChI Identifier
InChI=1S/C13H21NO2S/c15-13(16)9-7-5-3-1-2-4-6-8-12-14-10-11-17-12/h10-11H,1-9H2,(H,15,16)
InChI KeyAVTPHFAHOHFZTM-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)[email protected]KIOSTNoa Emmelyn Gaudiamo2026-03-09View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)[email protected]KIOSTNoa Emmelyn Gaudiamo2026-03-09View Spectrum
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Sarcotragus Sarcotragus spinosulus
      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