611
  -OEChem-02210611112D

 19 18  0     1  0  0  0  0  0999 V2000
    4.5981    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.0600    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7321   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426    0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  2  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
611

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQA4YsAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAIEADBKAgACAAEgAACQACQAAAIAAAACAAAAACAgQAAAAIAAACAABIEAEAAAAAAEAAmrAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-aminopentanedioic acid

> <PUBCHEM_IUPAC_CAS_NAME>
2-aminopentanedioic acid

> <PUBCHEM_IUPAC_NAME>
2-aminopentanedioic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-aminopentanedioic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-aminoglutaric acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/f/h7,9H

> <PUBCHEM_CACTVS_XLOGP>
-3.386

> <PUBCHEM_OPENEYE_MF>
C5H9NO4

> <PUBCHEM_OPENEYE_MW>
147.129

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(CC(=O)O)C(C(=O)O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(CC(=O)O)C(C(=O)O)N

> <PUBCHEM_CACTVS_TPSA>
100.62

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
10

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
3596

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00302

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 2.3.2.2
Is a reactant or product of enzyme EC 2.6.1.1
Is a reactant or product of enzyme EC 2.6.1.-
Is a reactant or product of enzyme EC 3.5.5.1

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-Aminoglutaric acid
56-86-0
C00302
Glutamate
Glutaminic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
56-86-0

> <PUBCHEM_XREF_EXT_ID>
C00302

> <PUBCHEM_GENBANK_PROTEIN_ID>
229661
230414
230800
442597
442601
442634
443270
443542
443543
443556
443557
443572
443573
493831
493832
493833
493834
493835
493836
494311
494312
494624
494625
494626
494627
494628
494629
515077
515078
515079
515080
515081
515082
515083
575999
576000
576001
576002
640141
640142
640143
640144
640145
640146
640151
640152
640153
640164
640165
809192
809193
1127182
1127183
1127184
1127185
1127186
1127187
1127188
1127189
1127190
1127191
1127192
1127193
1311169
1311170
1311171
1311172
1311173
1311174
1633521
1633522
1633523
2392156
2392157
2392158
2392159
2392380
3660282
3660283
3660284
3660285
4388895
5107512
5107513
5107514
5107515
5821836
5821837
5821839
5821840
5821841
5821842
7245554
7245555
9257156
9257157
9257158
11513365
11513367
11513597
11513598
11514255
11514273
12084330
12084331
12084332
12084333
15826454
15826455
15826456
15826457
15826458
15826459
15826460
15826461
15826462
15826463
15826464
15826465
17942613
17942614
21730349
21730350
21730351
28373431
28373432
33357643
33357644
34809903
34809904
34809905
34809906
34810106
34810107
34810108
34810109
34810110
34810111
55669973
55669974
55669975
55669976
55669977
55669978
55669979
71041927
71041928
71041929
71041930
71041931
71041932

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00302

> <PUBCHEM_CID_ASSOCIATIONS>
611  1

> <PUBCHEM_BONDANNOTATIONS>
4  9  3

$$$$