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Ectoine

Ectoine is a carboxamidine heterocycle obtained by formal condensation of (2S)-2,4-diaminobutanoic acid with acetic acid. It has a role as an osmolyte. It is a carboxamidine, a member of 1,4,5,6-tetrahydropyrimidines and a monocarboxylic acid. It is a conjugate acid of an ectoinate. It is a tautomer of an ectoine zwitterion.

Designed for biological research and industrial applications, not intended for individual clinical or medical purposes.
Ectoine(CAS 96702-03-3)

CAT No: MFP-003

CAS No:96702-03-3

Synonyms/Alias:UNII-7GXZ3858RY; (S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid

Chemical Name:(6S)-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid

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M.F/Formula
C6H10N2O2
M.W/Mr.
142.16
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)/t5-/m0/s1
InChI Key
WQXNXVUDBPYKBA-YFKPBYRVSA-N
Canonical SMILES
CC1=NCCC(N1)C(=O)O
Isomeric SMILES
CC1=NCC[C@H](N1)C(=O)O

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