KEGG   COMPOUND: C11221Help
Entry
C11221                      Compound                               

Name
Formylmethionyl-leucyl-phenylalanine methyl ester;
FMLP OMe
Formula
C22H33N3O5S
Exact mass
451.2141
Mol weight
451.5795
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 65929-03-5
PubChem: 13400
ChEBI: 5158
ChEMBL: CHEMBL285518
NIKKAJI: J475.877C
KCF data Show

ATOM        31
            1   C1c C    31.6084  -19.5262
            2   C7a C    32.8195  -18.8223
            3   O6a O    32.8124  -17.4212
            4   O7a O    34.0303  -19.5193
            5   C1a C    35.2343  -18.8152
            6   N1b N    30.3903  -18.8292
            7   C5a C    29.1724  -19.5193
            8   O5a O    29.1654  -20.9202
            9   C1c C    27.9544  -18.8223
            10  C8y C    32.8335  -21.6313
            11  C8x C    32.8335  -23.0324
            12  C8x C    34.0506  -23.7294
            13  C8x C    35.2537  -23.0324
            14  C8x C    35.2537  -21.6313
            15  C8x C    34.0506  -20.9272
            16  C1b C    31.6154  -20.9272
            17  N1b N    26.7410  -19.5208
            18  C5a C    25.5254  -18.8221
            19  C1c C    24.3215  -19.5191
            20  N1b N    23.1105  -18.8221
            21  C4a C    21.8994  -19.5191
            22  O4a O    20.6886  -18.8221
            23  C1b C    27.9525  -17.4212
            24  C1c C    29.1659  -16.7155
            25  C1a C    29.1643  -15.3144
            26  C1a C    30.3812  -17.4181
            27  O5a O    25.5249  -17.4212
            28  C1b C    24.3215  -20.9202
            29  C1b C    25.5286  -21.6244
            30  S2a S    25.5286  -23.0253
            31  C1a C    26.7430  -23.7223
BOND        31
            1    10  16 1
            2     1  16 1 #Down
            3     9  17 1
            4     7   9 1
            5    17  18 1
            6     4   5 1
            7    18  19 1
            8     2   3 2
            9    19  20 1
            10    1   6 1
            11   20  21 1
            12    1   2 1
            13   21  22 2
            14    6   7 1
            15    9  23 1 #Up
            16    2   4 1
            17   23  24 1
            18   10  11 2
            19   24  25 1
            20   11  12 1
            21   24  26 1
            22   12  13 2
            23   18  27 2
            24   13  14 1
            25   19  28 1 #Down
            26   14  15 2
            27   28  29 1
            28   15  10 1
            29   29  30 1
            30    7   8 2
            31   30  31 1

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