145742
  -OEChem-02210611462D

 17 17  0     1  0  0  0  0  0999 V2000
    2.8090   -0.4197    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.1681    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5691   -0.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7770   -1.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    1.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.1681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.0397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150   -0.4443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    1.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.7357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.7357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    1.2480    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.3689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9019    0.3366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  1  0  0  0
  2  5  1  0  0  0  0
  2 10  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 17  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
145742

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAwYsAAAAAAAAAAAAAAAAAAYAEAAAAAAAAAAAAAAAAAHgAAAAAIEADBKAgACAAEgAACwAKQAAAIAAAACAAAAACIgQAAAAIAACCAABIEAEAEAJAAEAIRmAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_NAME>
(2S)-pyrrolidine-2-carboxylic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1/f/h7H

> <PUBCHEM_CACTVS_XLOGP>
-0.04

> <PUBCHEM_OPENEYE_MF>
C5H9NO2

> <PUBCHEM_OPENEYE_MW>
115.131

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(NC1)C(=O)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C[C@H](NC1)C(=O)O

> <PUBCHEM_CACTVS_TPSA>
49.33

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
3448

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00148

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.5.1.1
Is a reactant or product of enzyme EC 1.5.1.2
Is a reactant or product of enzyme EC 1.5.99.8
Is a reactant or product of enzyme EC 1.14.11.2
Is a reactant or product of enzyme EC 3.4.11.5
Is a reactant or product of enzyme EC 4.3.1.12
Is a reactant or product of enzyme EC 5.1.1.4
Is a reactant or product of enzyme EC 6.1.1.15

> <PUBCHEM_SUBSTANCE_SYNONYM>
147-85-3
2-Pyrrolidinecarboxylic acid
C00148
L-Proline

> <PUBCHEM_GENERIC_REGISTRY_NAME>
147-85-3

> <PUBCHEM_XREF_EXT_ID>
C00148

> <PUBCHEM_GENBANK_PROTEIN_ID>
4389343
4389344
9257167
14719699
14719700
14719702
14719703
14719710
14719711
14719712
14719713
15826833
15826834
15826835
15826836
24987799
24987803
24987804
28373457
28948883
28948884
28948885
28948886
28948887
28948888
28948889
28948890
50513779
50513780
51248028
56553865
56553866
56553867
56553868
56553871
56553872
56966211
56966212
56966998
56966999
73535531
73535532
73535533
73535534
73535535
73535538
73535539
73535540
73535541
73535542
73535543
73535544
73535545
73535574
73535575

> <PUBCHEM_GENBANK_NUCLEOTIDE_ID>
14719701
14719704

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00148

> <PUBCHEM_CID_ASSOCIATIONS>
145742  1

> <PUBCHEM_BONDANNOTATIONS>
2  3  5

$$$$