KEGG   COMPOUND: C02645
Entry
C02645                      Compound                               

Name
4,5-Leukotriene A4
Formula
C20H30O3
Exact mass
318.2195
Mol weight
318.4504
Structure
Other DBs
PubChem: 5622
ChEBI: 28367
LIPIDMAPS: LMFA03020034
NIKKAJI: J2.739.316K
KCF data

ATOM        23
            1   C1y C    19.6173  -14.0147
            2   C1y C    20.8273  -14.7161
            3   O2x O    21.0525  -13.1200
            4   C1b C    18.4011  -14.7161
            5   C1b C    22.0370  -14.0147
            6   C2b C    17.1911  -14.0147
            7   C1b C    23.2535  -14.7161
            8   C2b C    15.9812  -14.7161
            9   C6a C    24.4633  -14.0147
            10  C2b C    14.7649  -14.0147
            11  O6a O    25.6732  -14.7161
            12  O6a O    24.4569  -12.6816
            13  C2b C    13.5550  -14.7161
            14  C2b C    12.3387  -14.0147
            15  C2b C    11.1287  -14.7161
            16  C1b C    11.1287  -16.1127
            17  C2b C    11.6437  -16.9557
            18  C2b C    13.2138  -16.9557
            19  C1b C    13.9475  -16.0677
            20  C1b C    15.1445  -16.7691
            21  C1b C    16.3481  -16.0612
            22  C1b C    17.5644  -16.7498
            23  C1a C    18.7743  -16.0419
BOND        23
            1     1   2 1
            2     1   3 1 #Up
            3     1   4 1
            4     2   5 1
            5     4   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 1
            9     8  10 1
            10    9  11 1
            11    9  12 2
            12   10  13 2
            13   13  14 1
            14   14  15 2
            15   15  16 1
            16   16  17 1
            17   17  18 2
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23    2   3 1 #Up

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