LMFA04030015
  LIPID_MAPS_STRUCTURE_DATABASE

 37 36  0     0  0            999 V2000
   12.7526   -6.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6547   -6.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7526   -7.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8440   -6.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349   -6.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0257   -6.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167   -6.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2076   -6.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2984   -6.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3894   -6.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4802   -6.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4285   -8.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7610   -8.1688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9271   -7.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4602   -7.8034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -8.1688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0934   -8.9876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4285   -9.1316    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5949   -7.6876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5949   -6.9364    0.0000 O   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  1  0     0  0
 11 12  2  0     0  0
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 14 15  1  0     0  0
 15 16  2  0     0  0
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 17 18  2  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
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 21 22  2  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
  9 25  1  1     0  0
 10 26  1  6     0  0
 19 27  1  1     0  0
 28 29  1  0     0  0
 29 35  1  6     0  0
 29 36  1  0     0  0
 36 30  1  0     0  0
 30 31  1  0     0  0
 31 33  1  0     0  0
 33 32  2  0     0  0
 33 34  1  0     0  0
 36 37  2  0     0  0
 26 28  1  0     0  0
M  END
> <LM_ID>
LMFA04030015

> <COMMON_NAME>
RCTR2

> <SYSTEMATIC_NAME>
8-(S-cysteinylglycinyl)-7S,17S-dihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid

> <FORMULA>
C27H40N2O7S

> <MASS>
536.26

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Docosanoids [FA04]

> <SUB_CLASS>
Resolvin Ds [FA0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Resolvin Glutathione Conjugate in Tissue Regeneration 2; Resolvin Sulfido Conjugate 2; 8S-cysteinylglycinyl resolvin D1

> <INCHI_KEY>
RJHKUGKYEOVVKD-ODERTVPDSA-N

> <INCHI>
InChI=1S/C27H40N2O7S/c1-2-3-9-14-21(30)15-10-6-4-5-7-12-17-24(23(31)16-11-8-13-18-25(32)33)37-20-22(28)27(36)29-19-26(34)35/h3-12,15,17,21-24,30-31H,2,13-14,16,18-20,28H2,1H3,(H,29,36)(H,32,33)(H,34,35)/b6-4-,7-5+,9-3-,11-8-,15-10+,17-12+/t21-,22-,23-,24+/m0/s1

> <SMILES>
C(CC/C=C\C[C@H](O)[C@H](SC[C@@H](C(=O)NCC(O)=O)N)/C=C/C=C/C=C\C=C\[C@@H](O)C/C=C\CC)(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
132503287

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
29571326

$$$$