KEGG   COMPOUND: C21771Help
Entry
C21771                      Compound                               

Name
L-Firefly luciferin;
(R)-4,5-Dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxylate
Formula
C11H8N2O3S2
Exact mass
279.9976
Mol weight
280.3228
Structure
Mol fileKCF fileDB search
Reaction
Enzyme
Other DBs
PubChem: 354264360
ChEMBL: CHEMBL3427170
KCF data Show

ATOM        18
            1   C8x C    14.0094  -16.1252
            2   C8y C    14.0094  -14.7235
            3   C8x C    15.2008  -14.0227
            4   C8y C    16.4624  -14.7235
            5   C8y C    16.4624  -16.1252
            6   C8x C    15.2008  -16.8260
            7   S2x S    17.7939  -14.3029
            8   C8y C    18.5649  -15.4243
            9   N5x N    17.7939  -16.5458
            10  C2y C    19.9667  -15.4243
            11  N2x N    20.7979  -16.5682
            12  C1y C    22.1427  -16.1312
            13  C1x C    22.1426  -14.7173
            14  S2x S    20.7978  -14.2803
            15  O1a O    12.8238  -14.0455
            16  C6a C    23.2748  -16.9538
            17  O6a O    24.5294  -16.3954
            18  O6a O    23.2664  -18.3672
BOND        20
            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 2
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    2  15 1
            18   12  16 1 #Up
            19   16  17 1
            20   16  18 2

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