15103
  -OEChem-04260609322D

 20 19  0     1  0  0  0  0  0999 V2000
    2.8660   -1.7500    0.0000 Se  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
15103

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBiMAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgCQCAAACCjBgAQCCABAAgAIAACQCAAAAAAAAAAAAIGAAAACABAAAAAAQAAEEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-4-methylselanyl-butanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-4-methylseleno-butanoic acid

> <PUBCHEM_IUPAC_NAME>
2-amino-4-methylselanyl-butanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-amino-4-methylselanyl-butanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-4-methylseleno-butanoic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/f/h7H

> <PUBCHEM_CACTVS_EXACT_MASS>
196.995

> <PUBCHEM_OPENEYE_MF>
C5H11NO2Se

> <PUBCHEM_OPENEYE_MW>
196.106

> <PUBCHEM_OPENEYE_CAN_SMILES>
C[Se]CCC(C(=O)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C[Se]CCC(C(=O)O)N

> <PUBCHEM_CACTVS_TPSA>
63.32

> <PUBCHEM_OPENEYE_MONOISOTOPICWT>
196.996

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
7713

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C05335

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 2.1.1.12
Is a reactant or product of enzyme EC 2.5.1.6
Is a reactant or product of enzyme EC 4.4.1.11
Is a reactant or product of enzyme EC 6.1.1.10

> <PUBCHEM_SUBSTANCE_SYNONYM>
1464-42-2
C05335
Selenomethionine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
1464-42-2

> <PUBCHEM_XREF_EXT_ID>
C05335

> <PUBCHEM_GENBANK_PROTEIN_ID>
443121
443122
1421282
1421289
1421290
1633158
1633159
1633160
1827907
1827908
4929860
6730520
10835631
10835632
13786940
15826191
15826192
15826193
15826194
21465427
21465428
21465429
21465430
21465431
21465432
21465433
21465434
28373694
34810716
34810717
34810718
34810719
34810720
34810721
34810722
34810723
46015188
46015189
46015190
46015191
46015192
46015201
46015202
46015203
46015204
46015205
46015206
46015496
46015497
46015498
46015499
49258479
49258480
49258481
49258482
49258778
52695319
52695320
56554170
56554171
56554172
56554173
71041978

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C05335

> <PUBCHEM_CID_ASSOCIATIONS>
15103  1

$$$$