COMPOUND: C00950
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Entry
C00950 Compound
Name
Dithioerythritol;
erythro-1,4-Dimercapto-2,3-butanediol;
DTE
Formula
C4H10O2S2
Exact mass
154.0122
Mol weight
154.26
Structure
Mol file
KCF file
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Reaction
R05072
Enzyme
2.8.1.5
Other DBs
CAS:
6892-68-8
PubChem:
4201
ChEBI:
17456
PDB-CCD:
DTU
[
PDBj
]
NIKKAJI:
J136.609B
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KCF data
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ATOM 8
1 C1c C 27.0213 -16.9918
2 C1c C 28.1330 -16.2955
3 C1b C 25.8576 -16.3775
4 O1a O 26.9907 -18.5409
5 C1b C 29.2915 -16.9071
6 O1a O 28.0811 -14.6093
7 S1a S 24.7484 -17.0823
8 S1a S 30.4030 -16.2105
BOND 7
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 1 #Up
6 3 7 1
7 5 8 1
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