KEGG   COMPOUND: C02740
Entry
C02740                      Compound                               
Name
Photinus luciferin;
(S)-4,5-Dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazole-4-carboxylic acid;
(S)-4,5-Dihydro-2-(6-hydroxy-2-benzothiazolyl)-4-thiazolecarboxylic acid;
Firefly luciferin;
D-Firefly luciferin
Formula
C11H8N2O3S2
Exact mass
279.9976
Mol weight
280.33
Structure
Reaction
R04036
Enzyme
1.13.12.7
Other DBs
CAS: 2591-17-5
PubChem: 5700
ChEBI: 17165
PDB-CCD: ESJ[PDBj]
NIKKAJI: J7.623F
LinkDB
KCF data

ATOM        18
            1   C8x C    17.6832  -16.8574
            2   C8y C    17.6832  -15.4531
            3   C8x C    18.8769  -14.7509
            4   C8y C    20.1409  -15.4531
            5   C8y C    20.1409  -16.8574
            6   C8x C    18.8769  -17.5596
            7   S2x S    21.4750  -15.0317
            8   C8y C    22.2475  -16.1552
            9   N5x N    21.4750  -17.2788
            10  C2y C    23.6519  -16.1552
            11  N2x N    24.4847  -17.3013
            12  C1y C    25.8321  -16.8635
            13  C1x C    25.8320  -15.4468
            14  S2x S    24.4846  -15.0090
            15  O1a O    16.4954  -14.7738
            16  C6a C    26.9664  -17.6876
            17  O6a O    28.2234  -17.1282
            18  O6a O    26.8177  -19.1037
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 #Down
            19   16  17 1
            20   16  18 2

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