Marvin  12180714192D          

  8  7  0  0  0  0            999 V2000
   -0.7145    0.1375    0.0000 N   0  3  3  0  0  0  0  0  0  0  0  0
    0.0000   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.9625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.2750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  3  7  1  0  0  0  0
M  CHG  2   1   1   7  -1
M  END
> <ID>
CHEBI:17750

> <NAME>
glycine betaine

> <DEFINITION>
The amino acid betaine derived from glycine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:3073; CHEBI:13895; CHEBI:24370; CHEBI:27128; CHEBI:22858; CHEBI:29050; CHEBI:15264

> <SYNONYM>
trimethylglycocoll; trimethylglycine; Trimethylammonioacetate; Trimethylaminoacetate; N,N,N-Trimethylglycine; N,N,N-trimethylammonioacetate; Glycine betaine; glycine betaine; Betaine; Bet; acidol; abromine; 2-N,N,N-trimethylammonio acetate; 1-carboxy-N,N,N-trimethylmethanaminium inner salt; (trimethylammoniumyl)acetate

> <IUPAC_NAME>
(trimethylammonio)acetate

> <FORMULA>
C5H11NO2

> <MASS>
117.14638

> <MONOISOTOPIC_MASS>
117.07898

> <CHARGE>
0

> <SMILES>
C[N+](C)(C)CC([O-])=O

> <INCHI>
InChI=1S/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3

> <INCHIKEY>
KWIUHFFTVRNATP-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
3537113

> <CAS_REGISTRY_NUMBER>
107-43-7

> <GMELIN_REGISTRY_NUMBER>
26434

> <REAXYS_REGISTRY_NUMBER>
3537113

> <CHEMIDPLUS>
107-43-7

> <KEGG_COMPOUND_ACCESSION>
C00719

> <KEGG_DRUG_ACCESSION>
D07523

> <KNAPSACK_ACCESSION>
C00007291

> <METACYC_ACCESSION>
BETAINE

> <NIST_CHEMISTRY_WEBBOOK>
107-43-7

> <PDBECHEM_ACCESSION>
BET

> <WIKIPEDIA_ACCESSION>
Trimethylglycine

> <YMDB_ACCESSION>
YMDB01516

> <PUBMED_CITATION>
16197300; 18326594; 20346934; 20446114; 20642826; 22770225

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