COMPOUND: C15037
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Entry
C15037 Compound
Name
Oplophorus luciferin;
8-Benzyl-2-(4-hydroxybenzyl)-6-(4-hydroxyphenyl)imidazo-[1,2a]pyrazin-3(7H)-one;
Coelenterazine
Formula
C26H21N3O3
Exact mass
423.1583
Mol weight
423.4632
Structure
Mol file
KCF file
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Reaction
R07128
Enzyme
1.13.12.13
Other DBs
CAS:
55779-48-1
PubChem:
17396034
ChEBI:
2311
NIKKAJI:
J474.554J
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KCF data
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ATOM 32
1 C8y C 18.3395 -16.2048
2 N4y N 17.1545 -15.5277
3 C8y C 18.3219 -17.5648
4 N5x N 19.5302 -15.5101
5 C8x C 15.9753 -16.2223
6 C8y C 17.1836 -14.1210
7 N4x N 17.1662 -18.2596
8 C1b C 19.5128 -18.2479
9 C8y C 19.5244 -14.1384
10 C8y C 15.9753 -17.5765
11 O5x O 16.2321 -13.1344
12 C8y C 20.6860 -17.5591
13 C1b C 20.4524 -13.1869
14 C8y C 14.7963 -18.2653
15 C8x C 21.8710 -18.2420
16 C8x C 20.6860 -16.1989
17 C8y C 21.8476 -13.1869
18 C8x C 14.7963 -19.6488
19 C8x C 13.5997 -17.5765
20 C8x C 23.0617 -17.5648
21 C8x C 21.8593 -15.5101
22 C8x C 13.5997 -20.3434
23 C8x C 12.4147 -18.2653
24 C8x C 23.0500 -16.1872
25 C8y C 12.4147 -19.6488
26 O1a O 11.2297 -20.3260
27 C8x C 22.5341 -14.3758
28 C8x C 23.9341 -14.3757
29 C8y C 24.6340 -13.1632
30 C8x C 23.9475 -11.9743
31 C8x C 22.5475 -11.9744
32 O1a O 26.0340 -13.1632
BOND 36
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 2
10 6 11 2
11 8 12 1
12 9 13 1
13 10 14 1
14 12 15 1
15 12 16 2
16 13 17 1
17 14 18 2
18 14 19 1
19 15 20 2
20 16 21 1
21 18 22 1
22 19 23 2
23 20 24 1
24 22 25 2
25 25 26 1
26 6 9 1
27 7 10 1
28 21 24 2
29 23 25 1
30 17 27 2
31 27 28 1
32 28 29 2
33 29 30 1
34 30 31 2
35 17 31 1
36 29 32 1
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