COMPOUND: C02636
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Entry
C02636 Compound
Name
3-Dehydrocarnitine;
3-Carboxy-N,N,N-trimethyl-2-oxo-1-propanaminium
Formula
C7H14NO3
Exact mass
160.0974
Mol weight
160.191
Structure
Mol file
KCF file
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Reaction
R01921
R02395
Enzyme
1.1.1.108
1.1.1.254
Other DBs
CAS:
10457-99-5
PubChem:
5616
ChEBI:
16758
3DMET:
B00471
NIKKAJI:
J794.316D
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KCF data
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ATOM 11
1 N1d N 28.9227 -16.0695 #+
2 C1b C 27.7122 -16.7712
3 C1a C 30.2732 -16.4912
4 C1a C 28.9227 -14.6719
5 C1a C 29.2853 -17.4202
6 C5a C 26.4959 -16.0695
7 C1b C 25.2854 -16.7712
8 C6a C 24.0749 -16.0695
9 O6a O 24.0749 -14.6719
10 O6a O 22.8643 -16.7712
11 O5a O 26.5569 -14.6636
BOND 10
1 1 2 1
2 1 3 1
3 1 4 1
4 1 5 1
5 2 6 1
6 6 7 1
7 7 8 1
8 8 9 2
9 8 10 1
10 6 11 2
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