NP-MRD: Showing NP-Card for hexatetracontanoic acid (NP0274991)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-08 22:35:29 UTC

Updated at

2022-09-08 22:35:29 UTC

NP-MRD ID

NP0274991

Secondary Accession Numbers

None

Natural Product Identification

Common Name

hexatetracontanoic acid

Description

Hexatetracontanoic acid belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. hexatetracontanoic acid is found in Ipomoea carnea. Based on a literature review very few articles have been published on Hexatetracontanoic acid.

Structure

MOL SDF PDB SMILES InChI

  Mrv1652309092200352D          

 48 47  0  0  0  0            999 V2000
   26.5105   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2250   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9395   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6539   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3684   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0829   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7974   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5118   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2263   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9408   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6552   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3697   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0842   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7987   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5131   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2276   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9421   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6565   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3710   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0855   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7999   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5144   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2289   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9434   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6578   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3723   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.0868   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8012   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.5157   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.2302   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.9447   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.6591   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.3736   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.0881   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.8025   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.5170   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.2315   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.9460   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.6604   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.3749   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.0894   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.8038   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.5183   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.2328   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.9473   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   58.6617   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.3762   16.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   58.6617   14.8934    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  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  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
M  END

  Mrv1652309092200352D          

 48 47  0  0  0  0            999 V2000
   26.5105   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2250   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9395   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6539   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3684   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0829   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7974   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5118   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2263   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.9408   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.6552   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.3697   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.0842   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7987   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.5131   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.2276   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9421   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.6565   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.3710   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0855   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.7999   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.5144   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2289   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.9434   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6578   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.3723   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.0868   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.8012   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.5157   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.2302   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.9447   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.6591   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.3736   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.0881   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.8025   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.5170   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.2315   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.9460   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.6604   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.3749   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.0894   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.8038   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.5183   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.2328   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.9473   16.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   58.6617   15.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.3762   16.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   58.6617   14.8934    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  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  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  2  0  0  0  0
 46 48  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0274991

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C46H92O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46(47)48/h2-45H2,1H3,(H,47,48)

> <INCHI_KEY>
PLPABYLKGGTKBQ-UHFFFAOYSA-N

> <FORMULA>
C46H92O2

> <MOLECULAR_WEIGHT>
677.24

> <EXACT_MASS>
676.709732202

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
140

> <JCHEM_AVERAGE_POLARIZABILITY>
98.90951753658176

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hexatetracontanoic acid

> <JCHEM_LOGP>
19.59364272766667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019655228562

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
215.11360000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
44

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
hexatetracontanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      49.486  30.111   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      50.820  29.341   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      52.154  30.111   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      53.487  29.341   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      54.821  30.111   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      56.155  29.341   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      57.488  30.111   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      58.822  29.341   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      60.156  30.111   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      61.489  29.341   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      62.823  30.111   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      64.157  29.341   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      65.490  30.111   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      66.824  29.341   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      68.158  30.111   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      69.492  29.341   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      70.825  30.111   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      72.159  29.341   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      73.493  30.111   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      74.826  29.341   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      76.160  30.111   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      77.494  29.341   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      78.827  30.111   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      80.161  29.341   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      81.495  30.111   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      82.828  29.341   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      84.162  30.111   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      85.496  29.341   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      86.829  30.111   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      88.163  29.341   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      89.497  30.111   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      90.830  29.341   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      92.164  30.111   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      93.498  29.341   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      94.831  30.111   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      96.165  29.341   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      97.499  30.111   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      98.832  29.341   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0     100.166  30.111   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0     101.500  29.341   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0     102.833  30.111   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0     104.167  29.341   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0     105.501  30.111   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0     106.835  29.341   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0     108.168  30.111   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0     109.502  29.341   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0     110.836  30.111   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0     109.502  27.801   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                                                       
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                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45                                                       
CONECT   45   44   46                                                       
CONECT   46   45   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46                                                            
MASTER        0    0    0    0    0    0    0    0   48    0   94    0
END

View in JSmol

Synonyms

Value	Source
Hexatetracontanoate	Generator

Chemical Formula

C₄₆H₉₂O₂

Average Mass

677.2400 Da

Monoisotopic Mass

676.70973 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C46H92O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-46(47)48/h2-45H2,1H3,(H,47,48)

InChI Key

PLPABYLKGGTKBQ-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Ipomoea carnea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Very long-chain fatty acids

Alternative Parents

Substituents

Very long-chain fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Straight chain fatty acids (LMFA01010039 )

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

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4445726

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5282599

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for hexatetracontanoic acid (NP0274991)

MOL for NP0274991 (hexatetracontanoic acid)

3D MOL for NP0274991 (hexatetracontanoic acid)

3D SDF for NP0274991 (hexatetracontanoic acid)

3D-SDF for NP0274991 (hexatetracontanoic acid)

PDB for NP0274991 (hexatetracontanoic acid)

3D PDB for NP0274991 (hexatetracontanoic acid)

SMILES for NP0274991 (hexatetracontanoic acid)

INCHI for NP0274991 (hexatetracontanoic acid)

Structure for NP0274991 (hexatetracontanoic acid)

3D Structure for NP0274991 (hexatetracontanoic acid)