KEGG   COMPOUND: C00576Help
Entry
C00576                      Compound                               

Name
Betaine aldehyde
Formula
C5H12NO
Exact mass
102.0919
Mol weight
102.1549
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00260  Glycine, serine and threonine metabolism
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
ChEMBL: CHEMBL1231491
PDB-CCD: BTL[PDBj]
3DMET: B00136
NIKKAJI: J413.989E
LinkDB All DBs
KCF data Show

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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