COMPOUND: C06772
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Entry
C06772 Compound
Name
Diethanolamine
Formula
C4H11NO2
Exact mass
105.079
Mol weight
105.1356
Structure
Mol file
KCF file
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Remark
Same as:
D02337
Reaction
R05381
R05382
Pathway
map00564
Glycerophospholipid metabolism
Enzyme
4.3.3.-
Other DBs
CAS:
111-42-2
PubChem:
8992
ChEBI:
28123
3DMET:
B01050
NIKKAJI:
J808G
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KCF data
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ATOM 7
1 N1b N 21.7700 -16.6825
2 C1b C 20.5542 -17.3782
3 C1b C 22.9858 -17.3782
4 C1b C 19.3382 -16.6825
5 C1b C 24.2018 -16.6825
6 O1a O 18.1224 -17.3782
7 O1a O 25.4118 -17.3782
BOND 6
1 1 2 1
2 1 3 1
3 2 4 1
4 3 5 1
5 4 6 1
6 5 7 1
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