ectoine

ectoine




Chemical Formula:
C6H10N2O2
Molecular Weight:
142.157 Daltons
Monoisotopic Mass:
143.0820526077 Daltons
SMILES:
CC1(NCC[CH](C([O-])=O)[N+]=1)
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
InChIKey:
WQXNXVUDBPYKBA-YFKPBYRVSA-N

Synonyms
  • 1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid

Databases
MetaCyc:  ECTOINE
RefMet:  Ectoine
PubChem (CID):  6993223 126041
ChEBI:  58515
KEGG:  C06231
NCI:  614616
CAS:  96702-03-3
MediaDB:  compounds/4864/
Seed:  cpd03727
MetaNetX:  MNXM2227