1088
  -OEChem-02210611522D

 13 12  0     0  0  0  0  0  0999 V2000
    3.4030    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    1.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705    1.2249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3110    0.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6910    1.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
1088

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAwQoAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAIEADBAAAACAIEgAACwAKQAAAIAAAACAAAAACIgAAAAAIAACAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_NAME>
2-methylaminoacetic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methylaminoethanoic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)/f/h5H

> <PUBCHEM_CACTVS_XLOGP>
-0.612

> <PUBCHEM_OPENEYE_MF>
C3H7NO2

> <PUBCHEM_OPENEYE_MW>
89.0932

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNCC(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNCC(=O)O

> <PUBCHEM_CACTVS_TPSA>
49.33

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
3513

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00213

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.4.3.19
Is a reactant or product of enzyme EC 1.5.3.1
Is a reactant or product of enzyme EC 1.5.3.10
Is a reactant or product of enzyme EC 1.5.99.1
Is a reactant or product of enzyme EC 1.5.99.2
Is a reactant or product of enzyme EC 2.1.1.20
Is a reactant or product of enzyme EC 3.5.1.59
Is a reactant or product of enzyme EC 3.5.3.3

> <PUBCHEM_SUBSTANCE_SYNONYM>
107-97-1
C00213
N-Methylglycine
Sarcosine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
107-97-1

> <PUBCHEM_XREF_EXT_ID>
C00213

> <PUBCHEM_GENBANK_PROTEIN_ID>
515103
576196
576197
576198
576199
809294
1942407
1942408
4139415
4139416
6137381
6137382
6435570
6435571
6435572
6435573
6435574
6435575
12084636
12084637
12084638
12084639
12084640
12084641
12084642
12084643
12084644
12084645
20664323
20664324
22219065
22219066
23200321
23200322
23200323
23200324
23200325
23200326
28948805
28948806
28948807
28948808
28948809
28948810
28948811
28948812
33357237
33357238
33357239
33357240
37927479
37927481
37927484
55669632
55669633
61679831
61679832
61679833
61679834
71041783
71041784
71041785
71041786
71041933
71041934
71041935
71041936

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.genome.jp/kegg/kegg2.html

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00213

> <PUBCHEM_CID_ASSOCIATIONS>
1088  1

$$$$