KEGG   COMPOUND: C18178
Entry
C18178                      Compound                               

Name
Resolvin D1;
7S,8R,17S-Trihydroxydocosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid
Formula
C22H32O5
Exact mass
376.225
Mol weight
376.4865
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA04 Docosanoids
   C18178  Resolvin D1
Other DBs
PubChem: 96024394
ChEBI: 81564
ChEMBL: CHEMBL482796
NIKKAJI: J2.417.899D
KCF data

ATOM        27
            1   C2b C    30.1254  -14.2856
            2   C1b C    31.3165  -14.9863
            3   C1b C    32.5076  -14.2856
            4   C6a C    33.6988  -14.9863
            5   O6a O    34.9599  -14.2856
            6   O6a O    33.6988  -16.3876
            7   C2b C    28.7241  -14.2856
            8   C1c C    26.2719  -14.2856
            9   C1b C    27.5330  -14.9863
            10  C1c C    24.8706  -14.2856
            11  C2b C    18.7749  -14.9863
            12  C2b C    19.9660  -14.2856
            13  C2b C    21.2272  -14.9863
            14  C2b C    22.4183  -14.2856
            15  C2b C    23.6094  -14.9863
            16  O1a O    26.6222  -12.9544
            17  O1a O    24.5202  -12.9544
            18  C2b C    18.7749  -16.3876
            19  C2b C    20.0361  -17.0882
            20  C2b C    21.2272  -16.3876
            21  C1c C    22.4183  -17.0882
            22  C1b C    23.6795  -16.3876
            23  C2b C    24.8706  -17.0882
            24  C2b C    26.2719  -17.0882
            25  C1b C    27.4630  -16.3876
            26  C1a C    28.6541  -17.0882
            27  O1a O    22.4183  -18.4895
BOND        26
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     4   6 2
            6     1   7 2
            7     8   9 1
            8     9   7 1
            9     8  10 1
            10   11  12 1
            11   12  13 2
            12   13  14 1
            13   14  15 2
            14   15  10 1
            15    8  16 1 #Up
            16   10  17 1 #Up
            17   11  18 2
            18   18  19 1
            19   19  20 2
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 2
            24   24  25 1
            25   25  26 1
            26   21  27 1 #Down

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