COMPOUND: C04371
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Entry
C04371 Compound
Name
3-Sulfanyl-2-(sulfanylmethyl)propanoate;
3-Mercapto-2-mercaptomethylpropanoate
Formula
C4H8O2S2
Exact mass
151.9966
Mol weight
152.2351
Structure
Mol file
KCF file
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Reaction
R03761
Enzyme
1.8.1.11
Other DBs
PubChem:
7013
ChEBI:
17919
KNApSAcK:
C00000305
3DMET:
B00707
NIKKAJI:
J434.425A
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KCF data
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ATOM 8
1 C1c C 28.6197 -16.2580
2 C6a C 29.8211 -16.9546
3 C1b C 27.4185 -16.9546
4 C1b C 28.6197 -14.8651
5 O6a O 29.8211 -18.4106
6 O6a O 31.0287 -16.2580
7 S1a S 26.2107 -16.2580
8 S1a S 29.8211 -14.1750
BOND 7
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
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