COMPOUND: C04856
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Entry
C04856 Compound
Name
(6S)-6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide;
(S)-NADH-hydrate;
(S)-NADHX;
(6S)-6-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide;
6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide
Formula
C21H31N7O15P2
Exact mass
683.1353
Mol weight
683.4563
Structure
Mol file
KCF file
DB search
Reaction
R00129
R10267
R10280
Enzyme
4.2.1.93
4.2.1.136
5.1.99.6
Other DBs
PubChem:
7411
ChEBI:
15644
44236
PDB-CCD:
NAX
[
PDBj
]
NIKKAJI:
J2.756.245K
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KCF data
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ATOM 45
1 N4y N 35.8593 -20.9570
2 C8y C 34.5321 -20.4892
3 C1y C 35.5378 -23.1498
4 C8x C 36.7248 -19.8402
5 C8y C 34.5672 -19.0800
6 N5x N 33.2983 -21.1734
7 O2x O 34.4736 -22.3838
8 C1y C 35.1459 -24.3544
9 N5x N 35.9238 -18.6707
10 C8y C 33.3568 -18.3492
11 C8x C 32.0878 -20.4425
12 C1y C 33.4327 -23.1264
13 C1y C 33.8479 -24.3544
14 O1a O 35.6489 -25.3893
15 N5x N 32.1170 -19.0215
16 N1a N 33.3859 -16.9341
17 C1b C 32.2223 -22.7521
18 O1a O 33.1111 -25.4011
19 O2b O 31.1932 -22.7053
20 P1b P 29.8015 -22.6996
21 O2c O 28.0649 -22.7053
22 O1c O 29.8015 -24.1966
23 O1c O 29.8074 -21.2611
24 P1b P 26.4568 -22.6996
25 O2b O 25.0768 -22.7053
26 O1c O 26.4685 -24.1381
27 O1c O 26.4568 -21.2611
28 C1b C 23.5858 -22.6762
29 C1y C 22.7730 -23.3194
30 O2x O 21.7028 -22.6119
31 C1y C 22.4338 -24.6351
32 C1y C 20.6737 -23.4187
33 C1y C 21.1007 -24.6585
34 O1a O 23.2290 -25.7460
35 N1y N 20.0188 -21.7406
36 O1a O 20.3696 -25.7460
37 C2x C 21.2409 -21.0330
38 C1y C 18.7909 -21.0330
39 C2y C 21.2409 -19.6181
40 C1x C 18.7909 -19.6181
41 O1a O 17.5747 -21.7406
42 C1x C 20.0188 -18.9164
43 C5a C 22.4630 -18.9164
44 N1a N 22.4630 -17.5013
45 O5a O 23.6851 -19.6238
BOND 49
1 1 2 1
2 3 1 1 #Up
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 6 11 2
11 7 12 1
12 8 13 1
13 8 14 1 #Down
14 10 15 2
15 10 16 1
16 12 17 1 #Up
17 13 18 1 #Down
18 17 19 1
19 19 20 1
20 20 21 1
21 20 22 1
22 20 23 2
23 21 24 1
24 24 25 1
25 24 26 1
26 24 27 2
27 25 28 1
28 29 28 1 #Down
29 29 30 1
30 29 31 1
31 30 32 1
32 31 33 1
33 31 34 1 #Up
34 32 35 1 #Down
35 33 36 1 #Up
36 35 37 1
37 35 38 1
38 37 39 2
39 38 40 1
40 38 41 1 #Up
41 39 42 1
42 39 43 1
43 43 44 1
44 43 45 2
45 5 9 1
46 11 15 1
47 12 13 1
48 32 33 1
49 40 42 1
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