COMPOUND: C04839
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Entry
C04839 Compound
Name
3-O-(3,6-Anhydro-alpha-D-galactopyranosyl)-D-galactose 4-O-sulfate
Formula
C12H20O13S
Exact mass
404.0625
Mol weight
404.3444
Structure
Mol file
KCF file
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Other DBs
PubChem:
7397
ChEBI:
1612
NIKKAJI:
J2.755.924G
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KCF data
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ATOM 26
1 C1y C 23.9878 -16.6071
2 C1y C 22.8846 -15.9592
3 O2a O 23.9819 -17.8796
4 C1y C 25.1026 -15.9592
5 C1y C 22.8846 -14.6750
6 O2a O 21.7872 -16.5895
7 C1y C 22.7154 -18.9244
8 C1y C 25.1026 -14.6750
9 O1a O 26.2001 -16.5955
10 O2x O 23.9878 -14.0447
11 C1b C 21.7872 -14.0447
12 S4a S 20.5088 -16.5895
13 C1y C 22.7154 -20.2085
14 O2x O 21.6003 -18.2882
15 O1a O 26.2001 -14.0387
16 O1a O 21.7989 -12.5911
17 O1d O 20.5088 -15.3171
18 O1d O 19.2422 -16.5895
19 O1d O 20.5031 -17.8562
20 C1y C 21.6003 -20.8565
21 O1a O 23.8185 -20.8390
22 C1y C 20.5031 -18.9244
23 C1y C 20.5031 -20.2085
24 O2x O 20.4564 -21.7670
25 C1x C 19.4874 -18.3641
26 O1a O 18.8862 -21.1600
BOND 28
1 1 2 1
2 1 3 1 #Up
3 1 4 1
4 2 5 1
5 2 6 1 #Up
6 7 3 1 #Down
7 4 8 1
8 4 9 1 #Down
9 5 10 1
10 5 11 1 #Up
11 6 12 1
12 7 13 1
13 7 14 1
14 8 15 1 #Down
15 11 16 1
16 12 17 1
17 12 18 2
18 12 19 2
19 13 20 1
20 13 21 1 #Down
21 14 22 1
22 20 23 1
23 20 24 1 #Up
24 22 25 1 #Up
25 23 26 1 #Up
26 8 10 1
27 22 23 1
28 24 25 1
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