KEGG   COMPOUND: C00576
Entry
C00576                      Compound                               
Name
Betaine aldehyde
Formula
C5H12NO
Exact mass
102.0919
Mol weight
102.16
Structure
Reaction
R01022 R01025 R02565 R02566 R07409 R08211 R08557 R08558
Pathway
map00260  Glycine, serine and threonine metabolism
map00670  One carbon pool by folate
map01100  Metabolic pathways
Module
M00555  Betaine biosynthesis, choline => betaine
Enzyme
1.1.1.1         1.1.3.17        1.1.99.1        1.2.1.8         
1.14.15.7
Other DBs
CAS: 7418-61-3
PubChem: 3855
ChEBI: 15710
PDB-CCD: BTL[PDBj]
NIKKAJI: J413.989E
LinkDB
KCF data

ATOM        7
            1   N1d N    26.8105  -19.5305 #+
            2   C1b C    28.0229  -20.2305
            3   C4a C    29.2354  -19.5305
            4   C1a C    26.8105  -18.1305
            5   C1a C    26.8105  -20.9305
            6   C1a C    25.5980  -20.2305
            7   O4a O    30.4659  -20.2412
BOND        6
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     1   5 1
            5     1   6 1
            6     3   7 2

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