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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 17:49:22 UTC

Update Date

2022-03-07 02:53:19 UTC

HMDB ID

HMDB0032358

Secondary Accession Numbers

HMDB32358

Metabolite Identification

Common Name

Lauroyl diethanolamide

Description

Lauroyl diethanolamide belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. Thus, lauroyl diethanolamide is considered to be a fatty amide. Based on a literature review a significant number of articles have been published on Lauroyl diethanolamide.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0032358
     RDKit          3D
Lauroyl diethanolamide
 53 52  0  0  0  0  0  0  0  0999 V2000
    6.5491   -2.6771    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1943   -2.0601   -1.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4083   -0.5716   -1.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    0.0243   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0977   -0.2259   -0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2260    0.4020    0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890    0.1059    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145    0.6634    1.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5907    0.2934    0.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8856    0.8646   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041    0.4605   -0.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649    1.0463   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8930    1.8903    0.8702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6357    0.7253   -0.0585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1519   -0.2467   -0.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3178   -1.6271   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1640   -2.2231    0.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5314    1.4225    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0287    2.6680    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8897    3.3886    1.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0221   -3.6570   -0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -2.8122    0.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2698   -2.0184    0.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -2.4356   -2.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1858   -2.2649   -1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4887   -0.4239   -1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1570   -0.1574   -2.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471   -0.4986    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.1213   -0.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7811    0.1774   -1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520   -1.3468   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3606    1.4914    0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4524   -0.0730    1.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006   -0.9671    0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6277    0.6840   -0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9275    1.7715    1.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9129    0.2112    2.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2848    0.5267    1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553   -0.8232    0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7278    1.9469   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2361    0.3926   -1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3159   -0.6385   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5067    0.7641   -2.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4377   -0.2750   -1.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0905    0.1626   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1498   -1.6956    0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6948   -2.2475   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610   -3.2076    0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3694    0.7598    1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9834    1.6773    1.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5553    2.4729   -0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1823    3.3476   -0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4347    3.7112    1.8312 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  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  0
 11 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 20 53  1  0
M  END


  Mrv0541 05061306282D          

 20 19  0  0  0  0            999 V2000
    4.7759    3.3501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4176    3.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8291    4.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5991    3.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2407    4.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0106    4.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6522    4.5355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4222    4.2391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0638    4.7577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8337    4.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8869    5.2023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3736    3.8687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6568    4.9059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1435    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4753    4.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2453    4.6837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2984    5.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2718    2.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3470    5.7950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  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  1  0  0  0  0
 14 12  1  0  0  0  0
 15 13  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 17 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0032358

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCCCCCCCC(=O)N(CCO)CCO

> <INCHI_IDENTIFIER>
InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3

> <INCHI_KEY>
AOMUHOFOVNGZAN-UHFFFAOYSA-N

> <FORMULA>
C16H33NO3

> <MOLECULAR_WEIGHT>
287.4381

> <EXACT_MASS>
287.246043927

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
36.16423084716993

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N,N-bis(2-hydroxyethyl)dodecanamide

> <ALOGPS_LOGP>
3.67

> <JCHEM_LOGP>
2.7385136113333335

> <ALOGPS_LOGS>
-3.11

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.875367781557003

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.27309555855313

> <JCHEM_PKA_STRONGEST_BASIC>
-0.06372770374714187

> <JCHEM_POLAR_SURFACE_AREA>
60.77

> <JCHEM_REFRACTIVITY>
82.87979999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.25e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
N,N-bis(2-hydroxyethyl)dodecanamide

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0032358
     RDKit          3D
Lauroyl diethanolamide
 53 52  0  0  0  0  0  0  0  0999 V2000
    6.5491   -2.6771    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1943   -2.0601   -1.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4083   -0.5716   -1.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    0.0243   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0977   -0.2259   -0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2260    0.4020    0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890    0.1059    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145    0.6634    1.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5907    0.2934    0.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8856    0.8646   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041    0.4605   -0.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649    1.0463   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8930    1.8903    0.8702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6357    0.7253   -0.0585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1519   -0.2467   -0.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3178   -1.6271   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1640   -2.2231    0.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5314    1.4225    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0287    2.6680    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8897    3.3886    1.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0221   -3.6570   -0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -2.8122    0.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2698   -2.0184    0.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -2.4356   -2.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1858   -2.2649   -1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4887   -0.4239   -1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1570   -0.1574   -2.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471   -0.4986    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.1213   -0.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7811    0.1774   -1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520   -1.3468   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3606    1.4914    0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4524   -0.0730    1.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006   -0.9671    0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6277    0.6840   -0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9275    1.7715    1.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9129    0.2112    2.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2848    0.5267    1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553   -0.8232    0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7278    1.9469   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2361    0.3926   -1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3159   -0.6385   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5067    0.7641   -2.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4377   -0.2750   -1.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0905    0.1626   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1498   -1.6956    0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6948   -2.2475   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610   -3.2076    0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3694    0.7598    1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9834    1.6773    1.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5553    2.4729   -0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1823    3.3476   -0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4347    3.7112    1.8312 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  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  0
 11 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 20 53  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       8.915   6.254   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.113   7.222   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.748   7.637   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.185   7.083   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.383   8.051   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.820   7.498   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      18.017   8.466   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      19.455   7.913   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      20.652   8.881   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      22.090   8.328   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      25.922   9.711   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      24.964   7.222   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      27.359   9.158   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      26.401   6.668   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      23.287   9.296   0.000  0.00  0.00           C+0
HETATM   17  N   UNK     0      24.725   8.743   0.000  0.00  0.00           N+0
HETATM   18  O   UNK     0      28.557  10.126   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      26.641   5.147   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      23.048  10.817   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   16                                                       
CONECT   12   14   17                                                       
CONECT   13   15   17                                                       
CONECT   14   12   18                                                       
CONECT   15   13   19                                                       
CONECT   16   11   17   20                                                  
CONECT   17   12   13   16                                                  
CONECT   18   14                                                            
CONECT   19   15                                                            
CONECT   20   16                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

COMPND    HMDB0032358
HETATM    1  C1  UNL     1       6.549  -2.677   0.006  1.00  0.00           C  
HETATM    2  C2  UNL     1       6.194  -2.060  -1.329  1.00  0.00           C  
HETATM    3  C3  UNL     1       6.408  -0.572  -1.228  1.00  0.00           C  
HETATM    4  C4  UNL     1       5.555   0.024  -0.148  1.00  0.00           C  
HETATM    5  C5  UNL     1       4.098  -0.226  -0.453  1.00  0.00           C  
HETATM    6  C6  UNL     1       3.226   0.402   0.651  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.789   0.106   0.269  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.814   0.663   1.265  1.00  0.00           C  
HETATM    9  C9  UNL     1      -0.591   0.293   0.782  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.886   0.865  -0.572  1.00  0.00           C  
HETATM   11  C11 UNL     1      -2.304   0.460  -0.966  1.00  0.00           C  
HETATM   12  C12 UNL     1      -3.265   1.046  -0.025  1.00  0.00           C  
HETATM   13  O1  UNL     1      -2.893   1.890   0.870  1.00  0.00           O  
HETATM   14  N1  UNL     1      -4.636   0.725  -0.058  1.00  0.00           N  
HETATM   15  C13 UNL     1      -5.152  -0.247  -0.967  1.00  0.00           C  
HETATM   16  C14 UNL     1      -5.318  -1.627  -0.446  1.00  0.00           C  
HETATM   17  O2  UNL     1      -4.164  -2.223   0.002  1.00  0.00           O  
HETATM   18  C15 UNL     1      -5.531   1.423   0.873  1.00  0.00           C  
HETATM   19  C16 UNL     1      -6.029   2.668   0.187  1.00  0.00           C  
HETATM   20  O3  UNL     1      -6.890   3.389   1.012  1.00  0.00           O  
HETATM   21  H1  UNL     1       7.022  -3.657  -0.168  1.00  0.00           H  
HETATM   22  H2  UNL     1       5.667  -2.812   0.661  1.00  0.00           H  
HETATM   23  H3  UNL     1       7.270  -2.018   0.568  1.00  0.00           H  
HETATM   24  H4  UNL     1       6.925  -2.436  -2.105  1.00  0.00           H  
HETATM   25  H5  UNL     1       5.186  -2.265  -1.679  1.00  0.00           H  
HETATM   26  H6  UNL     1       7.489  -0.424  -1.003  1.00  0.00           H  
HETATM   27  H7  UNL     1       6.157  -0.157  -2.236  1.00  0.00           H  
HETATM   28  H8  UNL     1       5.747  -0.499   0.832  1.00  0.00           H  
HETATM   29  H9  UNL     1       5.733   1.121  -0.040  1.00  0.00           H  
HETATM   30  H10 UNL     1       3.781   0.177  -1.434  1.00  0.00           H  
HETATM   31  H11 UNL     1       3.952  -1.347  -0.408  1.00  0.00           H  
HETATM   32  H12 UNL     1       3.361   1.491   0.662  1.00  0.00           H  
HETATM   33  H13 UNL     1       3.452  -0.073   1.614  1.00  0.00           H  
HETATM   34  H14 UNL     1       1.601  -0.967   0.094  1.00  0.00           H  
HETATM   35  H15 UNL     1       1.628   0.684  -0.688  1.00  0.00           H  
HETATM   36  H16 UNL     1       0.927   1.771   1.302  1.00  0.00           H  
HETATM   37  H17 UNL     1       0.913   0.211   2.268  1.00  0.00           H  
HETATM   38  H18 UNL     1      -1.285   0.527   1.577  1.00  0.00           H  
HETATM   39  H19 UNL     1      -0.555  -0.823   0.640  1.00  0.00           H  
HETATM   40  H20 UNL     1      -0.728   1.947  -0.654  1.00  0.00           H  
HETATM   41  H21 UNL     1      -0.236   0.393  -1.368  1.00  0.00           H  
HETATM   42  H22 UNL     1      -2.316  -0.638  -0.880  1.00  0.00           H  
HETATM   43  H23 UNL     1      -2.507   0.764  -2.024  1.00  0.00           H  
HETATM   44  H24 UNL     1      -4.438  -0.275  -1.841  1.00  0.00           H  
HETATM   45  H25 UNL     1      -6.091   0.163  -1.421  1.00  0.00           H  
HETATM   46  H26 UNL     1      -6.150  -1.696   0.300  1.00  0.00           H  
HETATM   47  H27 UNL     1      -5.695  -2.247  -1.320  1.00  0.00           H  
HETATM   48  H28 UNL     1      -4.261  -3.208   0.024  1.00  0.00           H  
HETATM   49  H29 UNL     1      -6.369   0.760   1.128  1.00  0.00           H  
HETATM   50  H30 UNL     1      -4.983   1.677   1.782  1.00  0.00           H  
HETATM   51  H31 UNL     1      -6.555   2.473  -0.746  1.00  0.00           H  
HETATM   52  H32 UNL     1      -5.182   3.348  -0.048  1.00  0.00           H  
HETATM   53  H33 UNL     1      -6.435   3.711   1.831  1.00  0.00           H  
CONECT    1    2   21   22   23
CONECT    2    3   24   25
CONECT    3    4   26   27
CONECT    4    5   28   29
CONECT    5    6   30   31
CONECT    6    7   32   33
CONECT    7    8   34   35
CONECT    8    9   36   37
CONECT    9   10   38   39
CONECT   10   11   40   41
CONECT   11   12   42   43
CONECT   12   13   13   14
CONECT   14   15   18
CONECT   15   16   44   45
CONECT   16   17   46   47
CONECT   17   48
CONECT   18   19   49   50
CONECT   19   20   51   52
CONECT   20   53
END

HMDB0032358
     RDKit          3D
Lauroyl diethanolamide
 53 52  0  0  0  0  0  0  0  0999 V2000
    6.5491   -2.6771    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1943   -2.0601   -1.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4083   -0.5716   -1.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5545    0.0243   -0.1485 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0977   -0.2259   -0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2260    0.4020    0.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890    0.1059    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8145    0.6634    1.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5907    0.2934    0.7824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8856    0.8646   -0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3041    0.4605   -0.9655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2649    1.0463   -0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8930    1.8903    0.8702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6357    0.7253   -0.0585 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1519   -0.2467   -0.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3178   -1.6271   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1640   -2.2231    0.0025 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5314    1.4225    0.8731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0287    2.6680    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8897    3.3886    1.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0221   -3.6570   -0.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6667   -2.8122    0.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2698   -2.0184    0.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9246   -2.4356   -2.1051 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1858   -2.2649   -1.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4887   -0.4239   -1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1570   -0.1574   -2.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7471   -0.4986    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    1.1213   -0.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7811    0.1774   -1.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9520   -1.3468   -0.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3606    1.4914    0.6618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4524   -0.0730    1.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6006   -0.9671    0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6277    0.6840   -0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9275    1.7715    1.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9129    0.2112    2.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2848    0.5267    1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5553   -0.8232    0.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7278    1.9469   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2361    0.3926   -1.3678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3159   -0.6385   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5067    0.7641   -2.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4377   -0.2750   -1.8411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0905    0.1626   -1.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1498   -1.6956    0.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6948   -2.2475   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2610   -3.2076    0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3694    0.7598    1.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9834    1.6773    1.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5553    2.4729   -0.7461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1823    3.3476   -0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4347    3.7112    1.8312 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  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  0
 11 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  0
 16 47  1  0
 17 48  1  0
 18 49  1  0
 18 50  1  0
 19 51  1  0
 19 52  1  0
 20 53  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Clindrol	HMDB
Lauramide dea	HMDB
Lauric diethanolamide	HMDB
Lauryl diethanolamide	HMDB
N,N-Bis(2-hydroxyethyl)dodecanamide, 9ci. N,N-bis(2-hydroxyethyl)lauramide	HMDB
Lauramide diethanolamine	MeSH
Lauric acid diethanolamide	MeSH

Chemical Formula

C₁₆H₃₃NO₃

Average Molecular Weight

287.4381

Monoisotopic Molecular Weight

287.246043927

IUPAC Name

N,N-bis(2-hydroxyethyl)dodecanamide

Traditional Name

N,N-bis(2-hydroxyethyl)dodecanamide

CAS Registry Number

120-40-1

SMILES

CCCCCCCCCCCC(=O)N(CCO)CCO

InChI Identifier

InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-16(20)17(12-14-18)13-15-19/h18-19H,2-15H2,1H3

InChI Key

AOMUHOFOVNGZAN-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl amines. N-acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

N-acyl amines

Alternative Parents

Substituents

N-acyl-amine
Tertiary carboxylic acid amide
Carboxamide group
Alkanolamine
Carboxylic acid derivative
Alcohol
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Organic oxide
Organopnictogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cytoplasm (HMDB: HMDB0032358)
Cell membrane (HMDB: HMDB0032358)

Biofluid or Excreta

Urine (HMDB: HMDB0032358)

Cellular substructure

Extracellular (HMDB: HMDB0032358)
Membrane (HMDB: HMDB0032358)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0032358)

Source

Endogenous

Endogenous (HMDB: HMDB0032358)

Animal

Animal (HMDB: HMDB0032358)

Exogenous

Food

Food (HMDB: HMDB0032358)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid peroxidation (HMDB: HMDB0032358)

Biochemical process

Fatty acid metabolism (HMDB: HMDB0032358)

Cellular process

Cell signaling (HMDB: HMDB0032358)

Biochemical pathway

Lipid metabolism pathway (HMDB: HMDB0032358)

Role

Biological role

Membrane stabilizer (HMDB: HMDB0032358)

Nutrient

Nutrient (HMDB: HMDB0032358)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0032358)

Emulsifier (HMDB: HMDB0032358)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	38.00 to 39.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Boiling Point	443.25 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	49.91 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	4.033 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.22 g/L	ALOGPS
logP	3.67	ALOGPS
logP	2.74	ChemAxon
logS	-3.1	ALOGPS
pKa (Strongest Acidic)	15.27	ChemAxon
pKa (Strongest Basic)	-0.064	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	60.77 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	82.88 m³·mol⁻¹	ChemAxon
Polarizability	36.16 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	173.944	31661259
DarkChem	[M-H]-	173.055	31661259
DeepCCS	[M+H]+	173.911	30932474
DeepCCS	[M-H]-	170.427	30932474
DeepCCS	[M-2H]-	206.891	30932474
DeepCCS	[M+Na]+	182.745	30932474
AllCCS	[M+H]+	174.4	32859911
AllCCS	[M+H-H2O]+	171.5	32859911
AllCCS	[M+NH4]+	177.1	32859911
AllCCS	[M+Na]+	177.9	32859911
AllCCS	[M-H]-	177.3	32859911
AllCCS	[M+Na-2H]-	178.2	32859911
AllCCS	[M+HCOO]-	179.4	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Lauroyl diethanolamide	CCCCCCCCCCCC(=O)N(CCO)CCO	3414.8	Standard polar	33892256
Lauroyl diethanolamide	CCCCCCCCCCCC(=O)N(CCO)CCO	2168.3	Standard non polar	33892256
Lauroyl diethanolamide	CCCCCCCCCCCC(=O)N(CCO)CCO	2424.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Lauroyl diethanolamide,1TMS,isomer #1	CCCCCCCCCCCC(=O)N(CCO)CCO[Si](C)(C)C	2431.8	Semi standard non polar	33892256
Lauroyl diethanolamide,2TMS,isomer #1	CCCCCCCCCCCC(=O)N(CCO[Si](C)(C)C)CCO[Si](C)(C)C	2487.3	Semi standard non polar	33892256
Lauroyl diethanolamide,1TBDMS,isomer #1	CCCCCCCCCCCC(=O)N(CCO)CCO[Si](C)(C)C(C)(C)C	2683.0	Semi standard non polar	33892256
Lauroyl diethanolamide,2TBDMS,isomer #1	CCCCCCCCCCCC(=O)N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C	2977.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Lauroyl diethanolamide GC-MS (Non-derivatized) - 70eV, Positive	splash10-0zgj-8950000000-d2343f4ad1a1a66c5cae	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lauroyl diethanolamide GC-MS (2 TMS) - 70eV, Positive	splash10-01ba-8932000000-361c517e9f981c03b5a1	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lauroyl diethanolamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Lauroyl diethanolamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lauroyl diethanolamide LC-ESI-QFT , positive-QTOF	splash10-052r-7960000000-cbf84658f45c669979de	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lauroyl diethanolamide 50V, Positive-QTOF	splash10-004i-0790000000-3932f494d8a1f98490fa	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lauroyl diethanolamide 20V, Positive-QTOF	splash10-004i-0090000000-d68f27e48b2fba24234d	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lauroyl diethanolamide 10V, Positive-QTOF	splash10-000i-0090000000-350c512f0e5f956559cd	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lauroyl diethanolamide 30V, Positive-QTOF	splash10-004i-0090000000-f4df67cbb4751daa5d2e	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lauroyl diethanolamide 40V, Positive-QTOF	splash10-004i-0090000000-79ace3a2b10cc7870687	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Lauroyl diethanolamide 35V, Positive-QTOF	splash10-052r-7960000000-19573dabb2689e66dea6	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 10V, Positive-QTOF	splash10-000i-1390000000-d3b6e6c20fa69b27803c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 20V, Positive-QTOF	splash10-059i-9740000000-7da9f488a14751b7c59c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 40V, Positive-QTOF	splash10-0btl-9300000000-951a2bdc5e782344ad57	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 10V, Negative-QTOF	splash10-000i-0190000000-acf61580b479902210b2	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 20V, Negative-QTOF	splash10-000i-2690000000-99b2d89e48be0270c43f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 40V, Negative-QTOF	splash10-0udu-9610000000-1b3cc45e3f191567a68d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 10V, Negative-QTOF	splash10-000i-0090000000-36ecbfd1ee7ca877ebeb	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 20V, Negative-QTOF	splash10-000i-0390000000-761783819eb1ee7b5726	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 40V, Negative-QTOF	splash10-06r6-9310000000-178d7b89b1937daf3593	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 10V, Positive-QTOF	splash10-000i-0290000000-e1ead6605eb1949e7592	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 20V, Positive-QTOF	splash10-06y9-9420000000-96961d450c5df73faf27	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Lauroyl diethanolamide 40V, Positive-QTOF	splash10-052b-9100000000-e76ae67d14a26e34bce0	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB009690

KNApSAcK ID

C00017077

Chemspider ID

8123

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

8430

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1301071

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). EAFUS: Everything Added to Food in the United States.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for Lauroyl diethanolamide (HMDB0032358)

MOL for HMDB0032358 (Lauroyl diethanolamide)

3D MOL for HMDB0032358 (Lauroyl diethanolamide)

3D SDF for HMDB0032358 (Lauroyl diethanolamide)

3D-SDF for HMDB0032358 (Lauroyl diethanolamide)

PDB for HMDB0032358 (Lauroyl diethanolamide)

3D PDB for HMDB0032358 (Lauroyl diethanolamide)

SMILES for HMDB0032358 (Lauroyl diethanolamide)

INCHI for HMDB0032358 (Lauroyl diethanolamide)

Structure for HMDB0032358 (Lauroyl diethanolamide)

3D Structure for HMDB0032358 (Lauroyl diethanolamide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra