KEGG   COMPOUND: C02983Help
Entry
C02983                      Compound                               

Name
Abrine;
L-Abrine;
N-Methyl-L-tryptophane
Formula
C12H14N2O2
Exact mass
218.1055
Mol weight
218.2518
Structure
Mol fileKCF fileDB search
Reaction
Other DBs
CAS: 526-31-8
PubChem: 5892
ChEBI: 15334
ChEMBL: CHEMBL552941
KNApSAcK: C00001331
NIKKAJI: J6.659A
LinkDB All DBs
KCF data Show

ATOM        16
            1   C8y C    12.7400  -18.2000
            2   C8y C    12.7400  -19.6000
            3   N4x N    14.0715  -20.0326
            4   C8x C    14.8944  -18.9000
            5   C8y C    14.0715  -17.7674
            6   C8x C    11.5276  -17.5000
            7   C8x C    10.3151  -18.2000
            8   C8x C    10.3151  -19.6000
            9   C8x C    11.5276  -20.3000
            10  C1b C    14.0728  -16.3800
            11  C1c C    15.2866  -15.6824
            12  C6a C    15.2894  -14.2824
            13  O6a O    16.4819  -13.5967
            14  O6a O    14.0554  -13.5666
            15  N1b N    16.4766  -16.3728
            16  C1a C    17.6673  -15.6885
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 2
            5     1   5 1
            6     1   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    2   9 2
            11    5  10 1
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   12  14 2
            16   11  15 1 #Up
            17   15  16 1

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