NP-MRD: Showing NP-Card for 14-Methylpentadecanoic acid (NP0083695)

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Record Information

Version

2.0

Created at

2022-04-29 04:39:11 UTC

Updated at

2022-04-29 04:39:11 UTC

NP-MRD ID

NP0083695

Secondary Accession Numbers

None

Natural Product Identification

Common Name

14-Methylpentadecanoic acid

Description

Isopalmitic acid, also known as isopalmitate, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Isopalmitic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Outside of the human body, Isopalmitic acid has been detected, but not quantified in, milk (cow) and milk and milk products. 14-Methylpentadecanoic acid is found in Agelas conifera, Callyspongia fallax, Medicago sativa, Myrmekioderma rea, Pinus sibirica, Portulaca oleracea, Streptomyces endophyticus, Streptomyces indicus and Xestospongia muta. 14-Methylpentadecanoic acid was first documented in 1955 (PMID: 13276333). This could make isopalmitic acid a potential biomarker for the consumption of these foods (PMID: 15112737) (PMID: 24887281).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 50 49  0  0  0  0  0  0  0  0999 V2000
   -5.2260   -1.2330    1.9975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4495   -0.8403    0.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7273   -2.1025   -0.2189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1849   -0.2282   -0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7476    0.9771    0.6639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5437    1.6522    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1860    1.0755    0.2864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9373   -0.2396   -0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419   -0.7758   -0.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5577   -0.1971   -1.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045    1.1842   -0.8028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2466    1.4985   -1.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101    0.6177   -1.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7669    0.7781    0.1792 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9338   -0.0227    0.6299 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8134   -1.4753    0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7724   -1.9938    0.0458 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8306   -2.3578    0.8562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9367   -2.0633    2.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4221   -0.4266    2.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2155   -1.6346    2.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2393   -0.0877    0.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4939   -1.8664   -1.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7594   -2.4543   -0.0723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9935   -2.8642    0.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4833   -0.9730   -0.3062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5949    0.1494   -1.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5901    1.7397    0.6567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5879    0.7810    1.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6539    1.8887   -0.9614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5058    2.7412    0.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4778    1.8483   -0.0942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8912    1.0489    1.4030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5511   -0.9879    0.3489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4417   -0.3087   -1.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7250   -0.9361    0.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3215   -1.8872   -0.6032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -0.3858   -2.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4847   -0.8570   -0.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1754    1.3889    0.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2760    1.9559   -1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5800    2.5551   -1.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0075    1.4452   -2.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2535   -0.4353   -1.5807 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3068    0.9594   -1.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8742    0.4236    0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8939    1.8538    0.4103 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0728    0.1923    1.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8970    0.3241    0.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8011   -2.1880    0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  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 18  1  0
 16 17  2  0
  1 19  1  0
  1 20  1  0
  1 21  1  0
  2 22  1  0
  3 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  6 31  1  0
  7 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
  9 37  1  0
 10 38  1  0
 10 39  1  0
 11 40  1  0
 11 41  1  0
 12 42  1  0
 12 43  1  0
 13 44  1  0
 13 45  1  0
 14 46  1  0
 14 47  1  0
 15 48  1  0
 15 49  1  0
 18 50  1  0
M  END


  Mrv1652309272007442D          

 18 17  0  0  0  0            999 V2000
10010.903310007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.618810007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.334310007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.047810007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.334310006.6603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.189910007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.474310007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.758910007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.045410007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.328310007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.613510007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.898710007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.184010007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10004.469310007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.754610007.4857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.040010007.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.325010007.4857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.040010008.7224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  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
 16 18  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0083695

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CCCCCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

> <INCHI_KEY>
ZONJATNKKGGVSU-UHFFFAOYSA-N

> <FORMULA>
C16H32O2

> <MOLECULAR_WEIGHT>
256.4241

> <EXACT_MASS>
256.240230268

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
34.07564333652123

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
14-methylpentadecanoic acid

> <ALOGPS_LOGP>
7.04

> <JCHEM_LOGP>
6.099033209

> <ALOGPS_LOGS>
-6.00

> <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>
77.03119999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.59e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
isopalmitic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8687.0208680.640   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8688.3558681.409   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8689.6918680.640   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8691.0228681.409   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8689.6918679.099   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8685.6888681.409   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8684.3528680.640   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8683.0178681.409   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8681.6858680.640   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8680.3468681.409   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8679.0128680.640   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8677.6778681.409   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8676.3438680.640   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8675.0098681.409   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8673.6758680.640   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8672.3418681.409   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0    8671.0078680.640   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0    8672.3418682.949   0.000  0.00  0.00           O+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    1    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   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
MASTER        0    0    0    0    0    0    0    0   18    0   34    0
END

View in JSmol

Synonyms

Value	Source
Isopalmitate	Generator
3,4-Dihydroxyphenyl thiocyanate	HMDB
4-Thiocyanatopyrocatechol	HMDB
Thiocyanic acid, 3,4-dihydroxyphenyl ester	HMDB
Iso-C16:0	PhytoBank
Isohexadecanoic acid	PhytoBank
Isopalmitic acid	PhytoBank
FA(i-16:0)	PhytoBank

Chemical Formula

C₁₆H₃₂O₂

Average Mass

256.4241 Da

Monoisotopic Mass

256.24023 Da

IUPAC Name

14-methylpentadecanoic acid

Traditional Name

isopalmitic acid

CAS Registry Number

Not Available

SMILES

CC(C)CCCCCCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)

InChI Key

ZONJATNKKGGVSU-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Agelas conifera	LOTUS Database	35616633
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Callyspongia fallax	LOTUS Database	35616633
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Medicago sativa	LOTUS Database	35616633
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Myrmekioderma rea	LOTUS Database	35616633
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Pinus sibirica	Plant	KNApSAcK
Portulaca oleracea	LOTUS Database	35616633
Streptomyces endophyticus	LOTUS Database	35616633
Streptomyces indicus	LOTUS Database	35616633
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB
Xestospongia muta	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Methyl-branched fatty acid
Branched 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

long-chain fatty acid (CHEBI:84890 )
branched-chain saturated fatty acid (CHEBI:84890 )
methyl-branched fatty acid (CHEBI:84890 )
Branched fatty acids (LMFA01020010 )

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	7.04	ALOGPS
logP	6.1	ChemAxon
logS	-6	ALOGPS
pKa (Strongest Acidic)	4.95	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	13	ChemAxon
Refractivity	77.03 m³·mol⁻¹	ChemAxon
Polarizability	34.08 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

HMDB0031068

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB003070

KNApSAcK ID

Not Available

Chemspider ID

33331

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

36247

PDB ID

Not Available

ChEBI ID

84890

Good Scents ID

Not Available

References

General References

Wood WF: Straight and branched-chain fatty acids in preorbital glands of sika deer, Cervus nippon. J Chem Ecol. 2004 Feb;30(2):479-82. doi: 10.1023/b:joec.0000017996.65270.d7. [PubMed:15112737 ]
HANSEN RP, SHORLAND FB, COOKE NJ: The branched-chain fatty acids of ox fat. 3. The isolation of 14-methylpentadecanoic acid (isopalmitic acid) from ox perinephric fat. Biochem J. 1955 Dec;61(4):547-9. doi: 10.1042/bj0610547. [PubMed:13276333 ]
Kim S, Hwang J, Xuan J, Jung YH, Cha HS, Kim KH: Global metabolite profiling of synovial fluid for the specific diagnosis of rheumatoid arthritis from other inflammatory arthritis. PLoS One. 2014 Jun 2;9(6):e97501. doi: 10.1371/journal.pone.0097501. eCollection 2014. [PubMed:24887281 ]

Showing NP-Card for 14-Methylpentadecanoic acid (NP0083695)

MOL for NP0083695 (14-Methylpentadecanoic acid)

3D MOL for NP0083695 (14-Methylpentadecanoic acid)

3D SDF for NP0083695 (14-Methylpentadecanoic acid)

3D-SDF for NP0083695 (14-Methylpentadecanoic acid)

PDB for NP0083695 (14-Methylpentadecanoic acid)

3D PDB for NP0083695 (14-Methylpentadecanoic acid)

SMILES for NP0083695 (14-Methylpentadecanoic acid)

INCHI for NP0083695 (14-Methylpentadecanoic acid)

Structure for NP0083695 (14-Methylpentadecanoic acid)

3D Structure for NP0083695 (14-Methylpentadecanoic acid)