KEGG   COMPOUND: C21479
Entry
C21479                      Compound                               

Name
RSL3;
(1S,3R)-RSL3
Formula
C23H21ClN2O5
Exact mass
440.1139
Mol weight
440.8762
Structure
Pathway
map04216  Ferroptosis
Other DBs
PubChem: 329970431
LinkDB
KCF data

ATOM        31
            1   C8x C    12.8886  -15.2721
            2   C8x C    12.8886  -16.6733
            3   C8x C    14.1020  -17.3739
            4   C8y C    15.3155  -16.6733
            5   C8y C    15.3155  -15.2721
            6   C8x C    14.1020  -14.5715
            7   N4x N    16.6481  -17.1062
            8   C8y C    17.4717  -15.9727
            9   C8y C    16.6481  -14.8392
            10  C1y C    18.8652  -15.8263
            11  N1y N    19.4351  -14.5462
            12  C1y C    18.6115  -13.4127
            13  C1x C    17.2180  -13.5591
            14  C8y C    19.6842  -16.9536
            15  C8x C    19.1142  -18.2335
            16  C8x C    19.9377  -19.3671
            17  C8y C    21.3311  -19.2207
            18  C8x C    21.9011  -17.9409
            19  C8x C    21.0776  -16.8073
            20  C7a C    22.1541  -20.3536
            21  O7a O    23.5264  -20.2099
            22  O6a O    21.5689  -21.6675
            23  C1a C    24.4074  -21.4666
            24  C5a C    20.7951  -14.4038
            25  O5a O    21.6350  -15.5605
            26  C1b C    21.3571  -13.1435
            27  X   Cl   22.7561  -12.9971
            28  C7a C    19.1968  -12.0976
            29  O7a O    20.5849  -11.9516
            30  O6a O    18.3824  -10.9772
            31  C1a C    21.1801  -10.7062
BOND        34
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15    9  13 1
            16   10  14 1
            17   14  15 2
            18   15  16 1
            19   16  17 2
            20   17  18 1
            21   18  19 2
            22   14  19 1
            23   17  20 1
            24   20  21 1
            25   20  22 2
            26   21  23 1
            27   11  24 1
            28   24  25 2
            29   24  26 1
            30   26  27 1
            31   12  28 1
            32   28  29 1
            33   28  30 2
            34   29  31 1

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