NP-MRD: Showing NP-Card for henicosan-2-one (NP0286676)

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Record Information

Version

2.0

Created at

2022-09-09 15:21:27 UTC

Updated at

2022-09-09 15:21:27 UTC

NP-MRD ID

NP0286676

Secondary Accession Numbers

None

Natural Product Identification

Common Name

henicosan-2-one

Description

Heneicosan-2-one belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Thus, heneicosan-2-one is considered to be an oxygenated hydrocarbon lipid molecule. henicosan-2-one is found in Cynomorium songaricum, Festuca hieronymi and Hamamelis virginiana. Heneicosan-2-one is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 64 63  0  0  0  0  0  0  0  0999 V2000
    8.9541    1.4634   -1.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3067    0.4610   -2.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3692   -0.3839   -1.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3367    0.5438   -0.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4140   -0.3307    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3288    0.5228    0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4570   -0.4159    1.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3476    0.2875    2.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4077    1.0176    1.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153    0.1477    0.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1178   -0.9314    0.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2261   -0.4124    1.7919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1780    0.4805    1.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8497   -0.1980   -0.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6294   -1.3814    0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3351   -2.1003   -0.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3055   -1.2300   -1.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3959   -0.6980   -0.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3453    0.1735   -1.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4348    0.7134   -0.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4863    1.5987   -1.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4414    0.4108    0.6813 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3861    2.4125   -1.3453 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9466    1.1136   -0.2583 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0201    1.5812   -1.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0684   -0.2198   -2.6766 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6914    0.9529   -3.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8937   -0.8930   -0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8382   -1.1205   -2.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8689    1.2678   -0.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7246    1.0495   -1.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0456   -0.8351    0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9649   -1.1132   -0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7753    1.3303    1.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7566    0.9953   -0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0729   -0.9348    2.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1088   -1.2017    0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7672   -0.4669    2.7746 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8003    1.0280    2.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7029    1.5950    1.9490 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9830    1.7865    0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4762   -0.3076   -0.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791    0.7817   -0.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4645   -1.6489    1.5308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5338   -1.5393    0.0715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860   -1.2572    2.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7242    0.0878    2.6454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6702    1.4192    0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9828    0.7560    1.8020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4942    0.5699   -0.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1312   -0.5216   -0.8703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2849   -1.1380    1.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8728   -2.1316    0.7707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5603   -2.4343   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9037   -2.9333   -0.2759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7832   -1.8468   -2.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8322   -0.3764   -1.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9627   -1.5492   -0.1215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9102   -0.0843    0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7863    0.9715   -1.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8376   -0.4672   -2.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5357    2.5131   -0.4176 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2389    1.9344   -2.0665 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4961    1.1354   -0.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  3 29  1  0
  4 30  1  0
  4 31  1  0
  5 32  1  0
  5 33  1  0
  6 34  1  0
  6 35  1  0
  7 36  1  0
  7 37  1  0
  8 38  1  0
  8 39  1  0
  9 40  1  0
  9 41  1  0
 10 42  1  0
 10 43  1  0
 11 44  1  0
 11 45  1  0
 12 46  1  0
 12 47  1  0
 13 48  1  0
 13 49  1  0
 14 50  1  0
 14 51  1  0
 15 52  1  0
 15 53  1  0
 16 54  1  0
 16 55  1  0
 17 56  1  0
 17 57  1  0
 18 58  1  0
 18 59  1  0
 19 60  1  0
 19 61  1  0
 21 62  1  0
 21 63  1  0
 21 64  1  0
M  END


  Mrv1533004171504432D          

 22 21  0  0  0  0            999 V2000
   10.4230    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5664    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2809    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9954    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7099    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4243    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1388    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8533    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5677    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2822    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5690    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2835    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7124    6.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    5.6052    0.0000 C   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  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0286676

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h3-20H2,1-2H3

> <INCHI_KEY>
VUVUIDMZOWHIIJ-UHFFFAOYSA-N

> <FORMULA>
C21H42O

> <MOLECULAR_WEIGHT>
310.566

> <EXACT_MASS>
310.323565972

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
64

> <JCHEM_AVERAGE_POLARIZABILITY>
43.988706244581195

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
henicosan-2-one

> <ALOGPS_LOGP>
9.13

> <JCHEM_LOGP>
8.364482960333333

> <ALOGPS_LOGS>
-7.23

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.64344776069631

> <JCHEM_PKA_STRONGEST_BASIC>
-7.270866249933755

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
99.03869999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.85e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
henicosan-2-one

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      19.456  12.773   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      20.790  12.003   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      22.124  12.773   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      23.457  12.003   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      24.791  12.773   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      26.125  12.003   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      27.458  12.773   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      28.792  12.003   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      30.126  12.773   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      31.459  12.003   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      32.793  12.773   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      34.127  12.003   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      35.460  12.773   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      36.794  12.003   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      38.128  12.773   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      39.462  12.003   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      40.795  12.773   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      42.129  12.003   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      43.463  12.773   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      44.796  12.003   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      46.130  12.773   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      44.796  10.463   0.000  0.00  0.00           C+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                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   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                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₁H₄₂O

Average Mass

310.5660 Da

Monoisotopic Mass

310.32357 Da

IUPAC Name

henicosan-2-one

Traditional Name

henicosan-2-one

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCCCC(C)=O

InChI Identifier

InChI=1S/C21H42O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)22/h3-20H2,1-2H3

InChI Key

VUVUIDMZOWHIIJ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Cynomorium songaricum	LOTUS Database	35616633
Festuca hieronymi	LOTUS Database	35616633
Hamamelis virginiana	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Ketones

Alternative Parents

Substituents

Ketone
Organic oxide
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Oxygenated hydrocarbons (LMFA12000220 )
a ketone (CPD-7891 )

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	9.13	ALOGPS
logP	8.36	ChemAxon
logS	-7.2	ALOGPS
pKa (Strongest Acidic)	19.64	ChemAxon
pKa (Strongest Basic)	-7.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	17.07 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	99.04 m³·mol⁻¹	ChemAxon
Polarizability	43.99 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

529805

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for henicosan-2-one (NP0286676)

MOL for NP0286676 (henicosan-2-one)

3D MOL for NP0286676 (henicosan-2-one)

3D SDF for NP0286676 (henicosan-2-one)

3D-SDF for NP0286676 (henicosan-2-one)

PDB for NP0286676 (henicosan-2-one)

3D PDB for NP0286676 (henicosan-2-one)

SMILES for NP0286676 (henicosan-2-one)

INCHI for NP0286676 (henicosan-2-one)

Structure for NP0286676 (henicosan-2-one)

3D Structure for NP0286676 (henicosan-2-one)