NP-MRD: Showing NP-Card for Methyl oleate (NP0071491)

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Record Information

Version

2.0

Created at

2022-04-28 16:52:09 UTC

Updated at

2022-04-28 16:52:09 UTC

NP-MRD ID

NP0071491

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Methyl oleate

Description

Methyl oleate, also known as methyl oleic acid, belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group. Methyl oleate is found in Acacia cedilloi, Acyrthosiphon pisum, Aloe vera, Anchietea salutaris, Beilschmiedia erythrophloia, Cladosporium cladosporioides, Diospyros mollis, Ganoderma carnosum, Gossypium hirsutum, Hamamelis virginiana, Krameria bicolor, Lepidium meyenii, Lithospermum erythrorhizon , Melicope semecarpifolia, Mentha pulegium, Ostrinia nubilalis, Polygala senega, Portulaca oleracea, Santalum album , Brassica hirta , Taiwanofungus camphoratus and Typhonium flagelliforme. Methyl oleate was first documented in 1976 (PMID: 1262422). Methyl oleate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (PMID: 18193214) (PMID: 21324386) (PMID: 927042).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 57 56  0  0  0  0  0  0  0  0999 V2000
   -3.7246   -2.6140    0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1622   -2.3603    0.4887 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4623   -0.8916    0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5701    0.0239    0.9548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9089    1.4522    0.6114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6994    1.7107   -0.8270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4188    1.4850   -1.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1959    2.2194   -1.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7281    1.9358    0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5602    1.3970    0.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4136    1.0124   -0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.8056   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2104    1.5163    1.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5138    0.0649    1.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5325   -0.3872    0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8188    0.3528    0.3873 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7787   -0.1683   -0.6694 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0251   -1.6079   -0.4668 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2781   -2.4607   -0.9942 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0833   -2.0469    0.3075 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3765   -3.4124    0.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5510   -3.6664   -0.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3546   -1.9316   -0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0981   -2.4553    1.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8687   -2.9543   -0.1231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3649   -2.5052    1.5748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2241   -0.7817   -0.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5304   -0.6687    0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5363   -0.2525    0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7492   -0.1869    2.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0656    1.5301    0.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4569    2.1405    1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9869    2.8249   -0.9695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4968    1.1446   -1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1657    0.3614   -1.3202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5030    1.5441   -2.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160    2.0721   -1.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4810    3.3558   -1.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3618    2.2054    1.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3031    1.2189    1.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6389   -0.0914   -0.4377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1747    1.1767   -1.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4771    2.9055   -0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680    1.6050   -1.0112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1414    2.1529    1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5473    1.9130    1.9198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6212   -0.5830    1.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934   -0.1433    2.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7638   -1.4781    0.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0831   -0.2756   -0.7333 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7525    1.4496    0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2362    0.1694    1.4057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7543    0.3962   -0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3768    0.0199   -1.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4533   -3.8764    0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6222   -3.9259   -0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2193   -3.4364    1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  1  0
  9 10  2  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  2  0
 18 20  1  0
 20 21  1  0
  9 39  1  0
  8 37  1  0
  8 38  1  0
  7 35  1  0
  7 36  1  0
  6 33  1  0
  6 34  1  0
  5 31  1  0
  5 32  1  0
  4 29  1  0
  4 30  1  0
  3 27  1  0
  3 28  1  0
  2 25  1  0
  2 26  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
 10 40  1  0
 11 41  1  0
 11 42  1  0
 12 43  1  0
 12 44  1  0
 13 45  1  0
 13 46  1  0
 14 47  1  0
 14 48  1  0
 15 49  1  0
 15 50  1  0
 16 51  1  0
 16 52  1  0
 17 53  1  0
 17 54  1  0
 21 55  1  0
 21 56  1  0
 21 57  1  0
M  END


  Mrv0541 09041212592D          

 23 22  0  0  0  0            999 V2000
   -4.0061    3.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0658    3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959    3.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6558    3.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8457    3.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4955    3.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0446    2.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547    2.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3948    1.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    2.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9349    3.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    4.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0151    4.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5552    3.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3653    3.9493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9054    3.3256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7155    3.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9856    4.2611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2556    2.8579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1248    1.1429    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450    1.4547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21  2  1  0  0  0  0
 21 19  1  0  0  0  0
 22 10  1  0  0  0  0
 23 11  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0071491

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC

> <INCHI_IDENTIFIER>
InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-

> <INCHI_KEY>
QYDYPVFESGNLHU-KHPPLWFESA-N

> <FORMULA>
C19H36O2

> <MOLECULAR_WEIGHT>
296.4879

> <EXACT_MASS>
296.271530396

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
39.08356481296554

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
methyl (9Z)-octadec-9-enoate

> <ALOGPS_LOGP>
7.94

> <JCHEM_LOGP>
6.929692507

> <ALOGPS_LOGS>
-7.02

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-7.023980613669104

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
92.17129999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.85e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
methyl oleate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    3                                                            
CONECT    2   21                                                            
CONECT    3    1    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   22                                                  
CONECT   11   10   12   23                                                  
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   21                                                  
CONECT   20   19                                                            
CONECT   21    2   19                                                       
CONECT   22   10                                                            
CONECT   23   11                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Value	Source
(Z)-9-Octadecenoic acid, methyl ester	ChEBI
Methyl (Z)-9-octadecenoate	ChEBI
Methyl cis-9-octadecenoate	ChEBI
Methyl-cis-oleate	ChEBI
Oleic acid methyl ester	ChEBI
(Z)-9-Octadecenoate, methyl ester	Generator
Methyl (Z)-9-octadecenoic acid	Generator
Methyl cis-9-octadecenoic acid	Generator
Methyl-cis-oleic acid	Generator
Oleate methyl ester	Generator
Methyl oleic acid	Generator
Methyl elaidate	MeSH
Methyl oleate, (e)-isomer	MeSH

Chemical Formula

C₁₉H₃₆O₂

Average Mass

296.4879 Da

Monoisotopic Mass

296.27153 Da

IUPAC Name

methyl (9Z)-octadec-9-enoate

Traditional Name

methyl oleate

CAS Registry Number

Not Available

SMILES

[H]\C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OC

InChI Identifier

InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-

InChI Key

QYDYPVFESGNLHU-KHPPLWFESA-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
Acacia x cedilloi	LOTUS Database	35616633
Acyrthosiphon pisum	LOTUS Database	35616633
Aloe vera	LOTUS Database	35616633
Anchietea salutaris	LOTUS Database	35616633
Beilschmiedia erythrophloia	Plant	KNApSAcK
Cladosporium cladosporioides	LOTUS Database	35616633
Diospyros mollis	LOTUS Database	35616633
Ganoderma carnosum	Fungi	KNApSAcK
Gossypium hirsutum	LOTUS Database	35616633
Hamamelis virginiana	LOTUS Database	35616633
Krameria bicolor	LOTUS Database	35616633
Lepidium meyenii	LOTUS Database	35616633
Lithospermum erythrorhizon	Plant	KNApSAcK
Melicope semecarpifolia	Plant	KNApSAcK
Mentha pulegium	LOTUS Database	35616633
Ostrinia nubilalis	LOTUS Database	35616633
Polygala senega	LOTUS Database	35616633
Portulaca oleracea	LOTUS Database	35616633
Santalum album	Plant	KNApSAcK
Sinapis alba	Plant	KNApSAcK
Taiwanofungus camphoratus	LOTUS Database	35616633
Typhonium flagelliforme	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty acid methyl esters. Fatty acid methyl esters are compounds containing a fatty acid that is esterified with a methyl group. They have the general structure RC(=O)OR', where R=fatty aliphatic tail or organyl group and R'=methyl group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acid esters

Direct Parent

Fatty acid methyl esters

Alternative Parents

Substituents

Fatty acid methyl ester
Methyl ester
Carboxylic acid ester
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

fatty acid methyl ester (CHEBI:27542 )

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	7.94	ALOGPS
logP	6.93	ChemAxon
logS	-7	ALOGPS
pKa (Strongest Basic)	-7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.3 Å²	ChemAxon
Rotatable Bond Count	16	ChemAxon
Refractivity	92.17 m³·mol⁻¹	ChemAxon
Polarizability	39.08 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00030760

Chemspider ID

Not Available

KEGG Compound ID

C03425

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5364509

PDB ID

Not Available

ChEBI ID

27542

Good Scents ID

Not Available

References

General References

Ottenstein DM, Bartley DA, Supina WR: Gas chromatographic separation of cis-trans isomers: methyl oleate/methyl elaidate. J Chromatogr. 1976 Apr 28;119:401-7. doi: 10.1016/s0021-9673(00)86802-8. [PubMed:1262422 ]
Yan JY, Yan YJ: Optimization for producing cell-bound lipase from Geotrichum sp. and synthesis of methyl oleate in microaqueous solvent. Appl Microbiol Biotechnol. 2008 Mar;78(3):431-9. doi: 10.1007/s00253-007-1331-z. Epub 2008 Jan 10. [PubMed:18193214 ]
Darvishi F, Destain J, Nahvi I, Thonart P, Zarkesh-Esfahani H: High-level production of extracellular lipase by Yarrowia lipolytica mutants from methyl oleate. N Biotechnol. 2011 Oct;28(6):756-60. doi: 10.1016/j.nbt.2011.02.002. Epub 2011 Feb 13. [PubMed:21324386 ]
Frankel EN, Neff WE, Rohwedder WK, Khambay BP, Garwood RF, Weedon BC: Analysis of autoxidized fats by gas chromatography-mass spectrometry: I. Methyl oleate. Lipids. 1977 Nov;12(11):901-7. doi: 10.1007/BF02533309. [PubMed:927042 ]

Showing NP-Card for Methyl oleate (NP0071491)

MOL for NP0071491 (Methyl oleate)

3D MOL for NP0071491 (Methyl oleate)

3D SDF for NP0071491 (Methyl oleate)

3D-SDF for NP0071491 (Methyl oleate)

PDB for NP0071491 (Methyl oleate)

3D PDB for NP0071491 (Methyl oleate)

SMILES for NP0071491 (Methyl oleate)

INCHI for NP0071491 (Methyl oleate)

Structure for NP0071491 (Methyl oleate)

3D Structure for NP0071491 (Methyl oleate)