Human Metabolome Database: Showing structure for HMDB0030964 (Linolenelaidic acid)

HMDB0030964
     RDKit          3D
Linolenelaidic acid
 50 49  0  0  0  0  0  0  0  0999 V2000
    7.4878   -0.8111   -1.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4184    0.2373   -1.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2423   -0.0793   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2372   -1.1437    0.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0744   -1.4649    1.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0265   -0.4303    0.9345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5979    0.3308    1.9237 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5443    1.3586    1.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1811    1.2995    0.2455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0014    1.0350   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1679    0.7527    0.6498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7457   -0.6317    0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1640   -0.7488   -1.0114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1432    0.1809   -1.5495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5216    0.2145   -1.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7064    0.5774    0.3759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2284    0.6386    0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8904   -0.6614    0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3007   -1.7442    0.2522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2961   -0.6368    0.6092 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3404   -0.5003   -1.8375 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8438   -0.8334   -0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1382   -1.8230   -1.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0486    0.2697   -2.4047 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8236    1.2425   -1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3683    0.5609   -0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1197   -1.8073    0.2978 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3468   -1.5520    2.2155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353   -2.4257    0.7601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6415   -0.3594   -0.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835    0.2404    2.9264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0776    2.3440    1.8172 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6990    1.2593    2.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9642    1.4965   -0.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1866    1.0146   -1.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0445    0.9316    1.7285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9381    1.5377    0.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8084   -1.3229    0.5273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4200   -0.9009    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775   -0.7133   -1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4546   -1.8429   -1.2346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7685    1.2779   -1.4649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666    0.0328   -2.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0622   -0.7548   -1.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0673    1.0271   -1.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3901   -0.2173    1.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2913    1.5641    0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3893    1.0096    1.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7034    1.3659   -0.0368 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8059   -0.3946   -0.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  2  3
 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
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  4 27  1  0
  5 28  1  0
  5 29  1  0
  6 30  1  0
  7 31  1  0
  8 32  1  0
  8 33  1  0
  9 34  1  0
 10 35  1  0
 11 36  1  0
 11 37  1  0
 12 38  1  0
 12 39  1  0
 13 40  1  0
 13 41  1  0
 14 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 20 50  1  0
M  END

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

Showing structure for HMDB0030964 (Linolenelaidic acid)

Structure for HMDB0030964 (Linolenelaidic acid)