Chem
J-GLOBAL ID：200907094811419111   Nikkaji number：J648.947H

Ectoine

エクトイン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C6H10N2O2
Molecular formula furigana： C6-H10-N2-O2
Molecular weight： 142.158
InChI： InChI=1S/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)
InChI key： WQXNXVUDBPYKBA-UHFFFAOYSA-N
SMILES： CC1=NCCC(N1)C(=O)O
Systematic name  (4)：
  • 2-メチル-3,4,5,6-テトラヒドロピリミジン-4-カルボン酸
  • 3,4,5,6-テトラヒドロ-2-メチルピリミジン-4-カルボン酸
  • 2-メチル-1,4,5,6-テトラヒドロピリミジン-4-カルボン酸
  • 2-methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Other name (4)：
  • エクトイン
  • Ectoine
  • 3,4,5,6-Tetrahydro-2-methylpyrimidine-4-carboxylic acid
  • 2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
CAS registry number： 96702-03-3
Regulation number (1)：
  • 8-(2)-2354
KEGG COMPOUND： C06231
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