KEGG   COMPOUND: C06231
Entry
C06231                      Compound                               
Name
Ectoine;
L-Ectoine;
(4S)-2-Methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylate
Formula
C6H10N2O2
Exact mass
142.0742
Mol weight
142.1558
Structure
Reaction
Pathway
map00260  Glycine, serine and threonine metabolism
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Module
M00033  Ectoine biosynthesis, aspartate => ectoine
M00919  Ectoine degradation, ectoine => aspartate
Enzyme
1.14.11.55      3.5.4.44        4.2.1.108
Other DBs
CAS: 96702-03-3
PubChem: 8474
ChEBI: 27592
PDB-CCD: 4CS[PDBj]
3DMET: B05179
NIKKAJI: J648.947H
LinkDB
KCF data

ATOM        10
            1   C1y C    26.2963  -26.3257
            2   N2x N    25.0953  -27.0197
            3   C1x C    26.2963  -24.9207
            4   C6a C    27.5032  -27.0197
            5   C2y C    23.8768  -26.3257
            6   C1x C    25.0953  -24.2153
            7   O6a O    27.4975  -28.4247
            8   O6a O    28.7160  -26.3141
            9   N1x N    23.8768  -24.9207
            10  C1a C    22.6582  -27.0137
BOND        10
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     2   5 2
            5     3   6 1
            6     4   7 1
            7     4   8 2
            8     5   9 1
            9     5  10 1
            10    6   9 1

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