LMFA04050008
  LIPID_MAPS_STRUCTURE_DATABASE

 31 30  0     0  0            999 V2000
   -0.8588   -8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0687   -9.4423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8588   -7.8357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7281   -8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5977   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5326   -8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4675   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4024   -8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3372   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2720   -8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2068   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1416   -8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0765   -8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0112   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.9461   -8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8809   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.8158   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.7506   -8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -17.6854   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -18.6203   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -19.5551   -8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4900   -9.4423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4675  -10.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0112  -10.5135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1899   -9.0968    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.4146  -10.1798    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -21.1288   -9.8085    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -20.0987   -8.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  -18.9060   -8.5381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  2  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  2  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  2  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  9 25  1  1     0  0
 16 26  1  1     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>
LMFA04050008

> <COMMON_NAME>
Maresin 1-d5

> <SYSTEMATIC_NAME>
7R,14S-dihydroxy-4Z,8E,10E,12Z,16Z,19Z-docosahexaenoic-21,21,22,22,22-d5 acid

> <FORMULA>
C22H27D5O4

> <MASS>
365.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Maresins [FA0405]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Mar1-d5

> <INCHI_KEY>
HLHYXXBCQOUTGK-MUCARDRFSA-N

> <INCHI>
InChI=1S/C22H32O4/c1-2-3-4-5-6-10-15-20(23)16-11-7-8-12-17-21(24)18-13-9-14-19-22(25)26/h3-4,6-13,16-17,20-21,23-24H,2,5,14-15,18-19H2,1H3,(H,25,26)/b4-3-,8-7+,10-6-,13-9-,16-11-,17-12+/t20-,21-/m0/s1/i1D3,2D2

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
21823

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162640617

> <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>
-

$$$$