KEGG   COMPOUND: C11306Help
Entry
C11306                      Compound                               

Name
Acetylleucyl-leucyl-norleucinal
Formula
C20H37N3O4
Exact mass
383.2784
Mol weight
383.5255
Structure
Mol fileKCF fileDB search
Other DBs
CAS: 110044-82-1
PubChem: 13481
ChEBI: 2423
ChEMBL: CHEMBL304784
PDB-CCD: CIB[PDBj]
NIKKAJI: J675.054K
KCF data Show

ATOM        27
            1   C4a C    33.4519  -20.2068
            2   C1c C    32.2477  -19.5096
            3   N1b N    31.0364  -20.2068
            4   C1b C    32.2477  -18.1082
            5   C1b C    33.4551  -17.4039
            6   C1b C    33.4551  -16.0027
            7   C1a C    34.6697  -15.3055
            8   O4a O    34.6599  -19.5106
            9   C5a C    29.8182  -19.5166
            10  O5a O    29.8112  -18.1153
            11  C1c C    28.5999  -20.2137
            12  N1b N    27.3863  -19.5150
            13  C1b C    28.5981  -21.6152
            14  C1c C    29.8117  -22.3209
            15  C1a C    29.8100  -23.7224
            16  C1a C    31.0272  -21.6182
            17  C5a C    26.1681  -20.2053
            18  O5a O    26.1611  -21.6065
            19  C1c C    24.9498  -19.5081
            20  N1b N    23.7362  -20.2068
            21  C1b C    24.9480  -18.1067
            22  C1c C    26.1616  -17.4009
            23  C1a C    26.1599  -15.9995
            24  C1a C    27.3772  -18.1036
            25  C5a C    22.5295  -19.5081
            26  C1a C    21.3210  -20.2038
            27  O5a O    22.5311  -18.1138
BOND        26
            1    11  13 1 #Down
            2    13  14 1
            3    14  15 1
            4    14  16 1
            5     9  10 2
            6     1   2 1
            7     2   3 1
            8     2   4 1 #Up
            9     4   5 1
            10    5   6 1
            11    6   7 1
            12    1   8 2
            13   19  20 1
            14   17  19 1
            15   12  17 1
            16   19  21 1 #Up
            17   21  22 1
            18   22  23 1
            19   22  24 1
            20   17  18 2
            21   11  12 1
            22   20  25 1
            23    9  11 1
            24   25  26 1
            25    3   9 1
            26   25  27 2

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