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L-ectoine

PropertiesImage
MNX_IDMNXM1101175 Image of MNXM1101175
referencechebi:58515
formulaC6H10N2O2
global charge0
mol weight142.158
InChIKeyWQXNXVUDBPYKBA-YFKPBYRVSA-N
InChIInChI=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
SMILESCC1=[NH+][C@H](C(=O)[O-])CCN1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM1101175
SMILES (mnx)[CH:1]1=[C:4]([OH:10])[CH2:6][CH2:5][CH2:3][C@H:2]1[N:7](=[NH:8])[OH:9]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 6
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58515
chebi:58515
WQXNXVUDBPYKBA-YFKPBYRVSA-N 		L-ectoine
(6S)-2-methyl-3,4,5,6-tetrahydropyrimidin-1-ium-6-carboxylate
ectoine zwitterion
hmdb:HMDB0240650
WQXNXVUDBPYKBA-YFKPBYRVSA-N 		Ectoine
(+)-1,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylate
(+)-1,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
(4S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
(4S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
(4S)-2-Methyl-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid
(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
(4S)-3,4,5,6-Tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
(S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
1,4,5,6-tetrahydro-2-Methyl-4-pyrimidinecarboxylic acid
Ectoin
L-Ectoine
Pyrostatin B
Pyrostatine B
ectoine

kegg.compound:C06231
keggC:C06231
WQXNXVUDBPYKBA-YFKPBYRVSA-N 		Ectoine
(4S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
L-Ectoine

seed.compound:cpd03727
seedM:cpd03727
WQXNXVUDBPYKBA-YFKPBYRVSA-N 		Ectoine
1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid
L-Ectoine
ectoine

bigg.metabolite:ecto__L
biggM:ecto__L
WQXNXVUDBPYKBA-YFKPBYRVSA-N 		L Ectoine

CHEBI:63475
chebi:63475
WQXNXVUDBPYKBA-YFKPBYRVSA-M 		ectoinate
(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
ectoine anion
ectoine(1-)

CHEBI:27592
chebi:27592
WQXNXVUDBPYKBA-YFKPBYRVSA-N 		ectoine
(+)-1,4,5,6-tetrahydro-2-methyl-4-pyrimidinecarboxylic acid
(4S)-2-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid
Ectoine
L-Ectoine
L-ectoine

metacyc.compound:ECTOINE
metacycM:ECTOINE
WQXNXVUDBPYKBA-YFKPBYRVSA-N 		ectoine
1,4,5,6-tetrahydro-2-methyl-4-pyrimidine carboxylic acid

chebi:23898
chebi:4756
chebi:49406
biggM:M_ecto__L
keggC:M_C06231
seedM:M_cpd03727 		secondary/obsolete/fantasy identifier