NP-MRD: Showing NP-Card for conditioner 1 (NP0177345)

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Record Information

Version

2.0

Created at

2022-09-03 15:10:26 UTC

Updated at

2022-09-03 15:10:27 UTC

NP-MRD ID

NP0177345

Secondary Accession Numbers

None

Natural Product Identification

Common Name

conditioner 1

Description

Oleyl alcohol, also known as (Z)-9-octadecenol or anjecol 90N, belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Thus, oleyl alcohol is considered to be a fatty alcohol lipid molecule. conditioner 1 is found in Bombus hortorum and Ruvettus pretiosus. conditioner 1 was first documented in 2010 (PMID: 20124754). Oleyl alcohol is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (PMID: 21250692).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 55 54  0  0  0  0  0  0  0  0999 V2000
   -6.1224    2.2725    1.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7904    2.1150    0.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8995    0.8426   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6390    0.5666   -0.8901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7619   -0.6849   -1.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0282   -1.9092   -0.8788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9553   -2.1935    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5866   -2.4132   -0.5416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6516   -2.6782    0.5499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3883   -1.9308    0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7313   -0.7518   -0.0045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1065   -0.9380   -0.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4887    0.2677   -1.4647 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8226    0.1353   -2.1032 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0140   -0.1044   -1.2924 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4942    0.8252   -0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6672    1.1328    0.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4089    2.0976    1.8706 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5901    1.5487    2.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1475    1.5580    2.2532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9183    2.0545    0.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2239    3.2837    1.8196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0033    2.0662    1.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6536    2.9643    0.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7625    0.9350   -0.7789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0926    0.0316    0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4240    1.3991   -1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045    0.5330   -0.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9038   -0.8525   -2.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6410   -0.5443   -2.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9709   -1.7671   -0.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2127   -2.7787   -1.5498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2048   -3.0384    0.7631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745   -1.2901    0.7823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4012   -1.5825   -1.1975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7437   -3.3518   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8810   -3.5734    1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0268   -2.2276    1.6422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041   -0.3651   -0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8917    0.0835    0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8499   -1.1182    0.1655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0503   -1.8619   -1.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6992    0.3179   -2.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3868    1.1748   -0.9018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9625    0.9745   -2.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7245   -0.7648   -2.8080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9348   -1.1506   -0.8400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9163   -0.2646   -1.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8696    1.7931   -0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4666    0.3718    0.1401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4709    0.2109    1.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7061    1.6328    0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5557    3.0246    1.3147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7457    2.2367    2.7315 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3253    1.6858    1.6505 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  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  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
  2 23  1  0
  2 24  1  0
  3 25  1  0
  3 26  1  0
  4 27  1  0
  4 28  1  0
  5 29  1  0
  5 30  1  0
  6 31  1  0
  6 32  1  0
  7 33  1  0
  7 34  1  0
  8 35  1  0
  8 36  1  0
  9 37  1  0
 10 38  1  0
 11 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 15 47  1  0
 15 48  1  0
 16 49  1  0
 16 50  1  0
 17 51  1  0
 17 52  1  0
 18 53  1  0
 18 54  1  0
 19 55  1  0
M  END

      
  Mrv1652301131800042D          

 19 18  0  0  0  0            999 V2000
 2502.6687 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.8433 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2501.1283 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2500.4134 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2499.6986 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.9837 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2498.2687 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2497.5539 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.8390 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2496.1243 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2503.3855 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2504.1004 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2504.8154 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2505.5302 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2506.2450 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2506.9600 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2507.6748 2502.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2508.3898 2502.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 2509.1045 2502.8202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 11  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
 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
M  END
> <DATABASE_ID>
NP0177345

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCC\C=C/CCCCCCCCO

> <INCHI_IDENTIFIER>
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-

> <INCHI_KEY>
ALSTYHKOOCGGFT-KTKRTIGZSA-N

> <FORMULA>
C18H36O

> <MOLECULAR_WEIGHT>
268.4778

> <EXACT_MASS>
268.276615774

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
37.09484146315165

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(9Z)-octadec-9-en-1-ol

> <ALOGPS_LOGP>
7.91

> <JCHEM_LOGP>
6.667361599333333

> <ALOGPS_LOGS>
-6.76

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.843942821991913

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922594096607371

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
87.6655

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.71e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
conditioner 1

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 13-JAN-18   NONE
TITLE     NULL                                                        
COMPND    MOLECULE:                                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-JAN-18         0                                  
HETATM    1  C   UNK     0    4671.6484671.163   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    4670.1074671.163   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    4668.7734671.931   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    4667.4384671.163   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    4666.1044671.931   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    4664.7704671.163   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    4663.4354671.931   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    4662.1014671.163   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    4660.7664671.931   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    4659.4324671.163   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    4672.9864671.931   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    4674.3214671.163   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    4675.6554671.931   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    4676.9904671.163   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    4678.3244671.931   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    4679.6594671.163   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    4680.9934671.931   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    4682.3284671.163   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0    4683.6624671.931   0.000  0.00  0.00           O+0
CONECT    1    2   11                                                       
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                                                            
CONECT   11    1   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                                                            
MASTER        0    0    0    0    0    0    0    0   19    0   36    0
END

View in JSmol

Synonyms

Value	Source
(9Z)-9-Octadecen-1-ol	ChEBI
(Z)-9-Octadecen-1-ol	ChEBI
(Z)-9-Octadecenol	ChEBI
(Z)-Octadec-9-en-1-ol	ChEBI
cis-9-Octadecen-1-ol	ChEBI
cis-9-Octadecenol	ChEBI
cis-9-Octadecenyl alcohol	ChEBI
Witcohol 85	Kegg
Oleol	HMDB
Oleyl alcohol, (Z)-isomer	HMDB
(9Z)-Octadecen-1-ol	HMDB
(9Z)-Octadec-9-en-1-ol	HMDB
(Z)-Octadec-9-enol	HMDB
9(Z)-Octadecen-1-ol	HMDB
9-Octadecen-1-ol	HMDB
Adol 34	HMDB
Adol 80	HMDB
Adol 85	HMDB
Adol 90	HMDB
Anjecol 90N	HMDB
Anjecol 90NR	HMDB
Atalco O	HMDB
Cachalot O-1	HMDB
Cachalot O-15	HMDB
Cachalot O-3	HMDB
Cachalot O-8	HMDB
cis-Laquo deltaraquo 9-octadecenol	HMDB
cis-Octadecen-1-ol	HMDB
Conditioner 1	HMDB
Crodacol a.10	HMDB
Crodacol-O	HMDB
Dermaffine	HMDB
Fancol oa-95	HMDB
Francol oa-95	HMDB
H.D. eutanol	HMDB
HD Oleyl alcohol 70/75	HMDB
HD Oleyl alcohol 80/85	HMDB
HD Oleyl alcohol 90/95	HMDB
HD Oleyl alcohol CG	HMDB
HD-Echelon 90/95	HMDB
HD-Eutanol	HMDB
HD-Ocenol 90/95	HMDB
HD-Ocenol K	HMDB
Lancol	HMDB
Lipocol O	HMDB
Loxanol 95	HMDB
Loxanol m	HMDB
Novol	HMDB
Ocenol	HMDB
Oceol	HMDB
Octadec-9-en-1-ol	HMDB
Octadec-9Z-enol	HMDB
Octadecenol	HMDB
Oleic alcohol	HMDB
Oleo alcohol	HMDB
Oleoyl alcohol	HMDB
Oleyl alcohol (NF)	HMDB
Olive alcohol	HMDB
Satol	HMDB
Sipol O	HMDB
Siponol OC	HMDB
Unjecol 110	HMDB
Unjecol 50	HMDB
Unjecol 70	HMDB
Unjecol 90	HMDB
Witcohol 90	HMDB
Oleyl alcohol	ChEBI

Chemical Formula

C₁₈H₃₆O

Average Mass

268.4778 Da

Monoisotopic Mass

268.27662 Da

IUPAC Name

(9Z)-octadec-9-en-1-ol

Traditional Name

conditioner 1

CAS Registry Number

Not Available

SMILES

CCCCCCCC\C=C/CCCCCCCCO

InChI Identifier

InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3/b10-9-

InChI Key

ALSTYHKOOCGGFT-KTKRTIGZSA-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
Bombus hortorum	LOTUS Database	35616633
Ruvettus pretiosus	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Long-chain fatty alcohols

Alternative Parents

Substituents

Long chain fatty alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

long-chain primary fatty alcohol (CHEBI:73504 )
fatty alcohol 18:1 (CHEBI:73504 )
Fatty alcohols (LMFA05000213 )

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	7.91	ALOGPS
logP	6.67	ChemAxon
logS	-6.8	ALOGPS
pKa (Strongest Acidic)	16.84	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	87.67 m³·mol⁻¹	ChemAxon
Polarizability	37.09 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

HMDB0029632

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

Oleyl_alcohol

METLIN ID

Not Available

PubChem Compound

5284499

PDB ID

Not Available

ChEBI ID

73504

Good Scents ID

Not Available

References

General References

Radzi SM, Mohamad R, Basri M, Salleh AB, Ariff A, Rahman MB, Rahman RN: Kinetics of enzymatic synthesis of liquid wax ester from oleic acid and oleyl alcohol. J Oleo Sci. 2010;59(3):127-34. doi: 10.5650/jos.59.127. [PubMed:20124754 ]
Chen B, Liu H, Guo Z, Huang J, Wang M, Xu X, Zheng L: Lipase-catalyzed esterification of ferulic Acid with oleyl alcohol in ionic liquid/isooctane binary systems. J Agric Food Chem. 2011 Feb 23;59(4):1256-63. doi: 10.1021/jf104101z. Epub 2011 Jan 20. [PubMed:21250692 ]
LOTUS database [Link]

Showing NP-Card for conditioner 1 (NP0177345)

MOL for NP0177345 (conditioner 1)

3D MOL for NP0177345 (conditioner 1)

3D SDF for NP0177345 (conditioner 1)

3D-SDF for NP0177345 (conditioner 1)

PDB for NP0177345 (conditioner 1)

3D PDB for NP0177345 (conditioner 1)

SMILES for NP0177345 (conditioner 1)

INCHI for NP0177345 (conditioner 1)

Structure for NP0177345 (conditioner 1)

3D Structure for NP0177345 (conditioner 1)