COMPOUND: C03829
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Entry
C03829 Compound
Name
2S,5S-Methionine sulfoximine;
(R-(R*,S*))-S-(3-Amino-3-carboxypropyl)-S-methylsulphoximide
Formula
C5H12N2O3S
Exact mass
180.0569
Mol weight
180.2254
Structure
Mol file
KCF file
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Other DBs
CAS:
21752-31-8
PubChem:
6572
ChEBI:
28227
28490
NIKKAJI:
J225.433F
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KCF data
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ATOM 11
1 S4a S 18.4100 -15.1200
2 C1b C 19.6224 -15.8200
3 C1b C 20.8349 -15.1200
4 C1c C 22.0473 -15.8200
5 C6a C 23.2597 -15.1200
6 O6a O 24.4722 -15.8200
7 O6a O 23.2597 -13.7201
8 N1a N 22.0473 -17.2200
9 N2a N 18.4100 -13.4400
10 O3c O 16.9176 -15.9600
11 C1a C 17.1976 -14.4200
BOND 10
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 5 7 2
7 4 8 1 #Up
8 1 9 2
9 1 10 2
10 1 11 1 #Down
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