KEGG   COMPOUND: C11629
Entry
C11629                      Compound                               
Name
omega-Carboxy-N-acetyl-LTE4;
(7E,9E,11Z,14Z)-(5S,6R)-6-((N-Acetyl)cystein-S-yl)-5-hydroxyeicosa-7,9,11,14-tetraen-1,20-dioate;
omega-COOH-LTE4NAc
Formula
C25H37NO8S
Exact mass
511.224
Mol weight
511.6282
Structure
Other DBs
PubChem: 13794
ChEBI: 10613
NIKKAJI: J2.775.648D
KCF data

ATOM        35
            1   C1c C    28.6799  -17.3711
            2   C1c C    29.8051  -16.7243
            3   S2a S    29.2975  -19.0064
            4   C2b C    27.5452  -16.7185
            5   C1b C    30.9410  -17.3770
            6   O1a O    29.8110  -15.4142
            7   C1b C    30.6029  -18.9306
            8   C2b C    26.4271  -17.3711
            9   C1b C    32.0767  -16.7243
            10  C1c C    31.2427  -20.1375
            11  C2b C    25.2914  -16.7185
            12  C1b C    33.1939  -17.3770
            13  C6a C    32.5481  -20.1375
            14  N1b N    30.6088  -21.2732
            15  C2b C    24.1555  -17.3653
            16  C6a C    34.3237  -16.7302
            17  O6a O    33.2056  -21.2675
            18  O6a O    33.2056  -18.9947
            19  C2b C    23.0256  -16.7127
            20  O6a O    35.4536  -17.3758
            21  O6a O    34.3237  -15.3850
            22  C2b C    21.7202  -16.7243
            23  C1b C    20.6079  -18.9082
            24  C2b C    21.6383  -21.1387
            25  C2b C    22.9496  -21.1330
            26  C1b C    24.0736  -20.4685
            27  C1b C    25.2152  -21.1213
            28  C1b C    26.3335  -20.4568
            29  C1b C    27.4751  -21.1036
            30  C6a C    27.5444  -22.4928
            31  C5a C    31.3006  -22.4422
            32  C1a C    30.6354  -23.6336
            33  O5a O    32.6648  -22.5039
            34  O6a O    26.2690  -23.1849
            35  O6a O    28.6789  -23.1862
BOND        34
            1     2   5 1
            2     2   6 1 #Up
            3     3   7 1
            4     4   8 2
            5     5   9 1
            6     7  10 1
            7     8  11 1
            8     9  12 1
            9    10  13 1
            10   10  14 1
            11   11  15 2
            12   12  16 1
            13   13  17 1
            14   13  18 2
            15   15  19 1
            16   16  20 1
            17   16  21 2
            18   19  22 2
            19   22  23 1
            20   23  24 1
            21   24  25 2
            22   25  26 1
            23   26  27 1
            24   27  28 1
            25   28  29 1
            26   29  30 1
            27   14  31 1
            28    1   2 1
            29   31  32 1
            30    1   3 1 #Down
            31   31  33 2
            32   30  34 2
            33    1   4 1
            34   30  35 1

» Japanese version

  All links  
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (3)   

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