LMFA04040007
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0     0  0            999 V2000
   21.9961    0.1932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9562   -0.3613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.9961    1.0810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0287   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0611    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0934   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1256   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1580    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1904   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2226   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2549    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2871   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3195    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3516   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3841    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4164   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4486    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4810    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5133   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5455    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5778   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6101   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    0.1931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6746   -0.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2871   -1.1508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5133   -1.1508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9994   -0.0150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6975   -1.1535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0078   -0.7549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1866    0.5642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2039    0.6172    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  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  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 12 25  1  1  0  0  0
 19 26  1  1  0  0  0
 24 27  1  0     0  0
 24 28  1  0     0  0
 24 29  1  0     0  0
 23 30  1  0     0  0
 23 31  1  0     0  0
M  ISO  5  27   2  28   2  29   2  30   2  31   2
M  END
> <LM_ID>
LMFA04040007

> <COMMON_NAME>
Neuroprotectin D1-d5

> <SYSTEMATIC_NAME>
10R,17S-dihydroxy-4Z,7Z,11E,13E,15Z,19Z-docosahexaenoic-21,21,22,22,22-d5 acid

> <FORMULA>
C22H27D5O4

> <MASS>
365.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Protectins [FA0404]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
NPD1-d5; Protectin D1-d5; PD1-d5

> <INCHI_KEY>
CRDZYJSQHCXHEG-XYVLOPPUSA-N

> <INCHI>
InChI=1S/C22H32O4/c1-2-3-10-15-20(23)17-12-8-9-13-18-21(24)16-11-6-4-5-7-14-19-22(25)26/h3,5-13,17-18,20-21,23-24H,2,4,14-16,19H2,1H3,(H,25,26)/b7-5-,9-8+,10-3-,11-6-,17-12-,18-13+/t20-,21+/m0/s1/i1D3,2D2

> <SMILES>
C(CC/C=C\C/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)C/C=C\C([2H])([2H])C([2H])([2H])[2H])(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
21625

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
168312220

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]; Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]; Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]; Hydroxy fatty acids [FA0105]

> <ALT_CLASS_LEVEL4S>
-; -

> <TAXONOMY>
32630

> <CITATION>
-

$$$$