71082
  -OEChem-02210611422D

 21 20  0     1  0  0  0  0  0999 V2000
    5.1350    1.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.0600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2690    0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    2.5600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5380    1.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    2.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.6800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4810   -0.5226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    0.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1909    0.1426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7924   -0.5477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6150   -2.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1  7  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  1  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 12  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
71082

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAwY8AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAAAAAIEADBKAgACAAEgAACQACQAAAIAAAACAAAAACAgQAAAAIAAACAABIEAEAAAAAAEAARmAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2R)-2,5-diaminopentanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(2R)-2,5-diaminopentanoic acid

> <PUBCHEM_IUPAC_NAME>
(2R)-2,5-diaminopentanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2R)-2,5-diaminopentanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2R)-2,5-diaminopentanoic acid

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m1/s1/f/h8H

> <PUBCHEM_CACTVS_XLOGP>
-3.376

> <PUBCHEM_OPENEYE_MF>
C5H12N2O2

> <PUBCHEM_OPENEYE_MW>
132.161

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

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(C[C@H](C(=O)O)N)CN

> <PUBCHEM_CACTVS_TPSA>
89.34

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
9

> <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>
3798

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
KEGG

> <PUBCHEM_EXT_DATASOURCE_REGID>
C00515

> <PUBCHEM_SUBSTANCE_COMMENT>
Is a reactant or product of enzyme EC 1.4.3.3
Is a reactant or product of enzyme EC 2.6.1.21
Is a reactant or product of enzyme EC 3.5.3.10
Is a reactant or product of enzyme EC 5.1.1.9
Is a reactant or product of enzyme EC 5.1.1.10
Is a reactant or product of enzyme EC 5.1.1.12
Is a reactant or product of enzyme EC 5.4.3.5

> <PUBCHEM_SUBSTANCE_SYNONYM>
348-66-3
C00515
D-Ornithine

> <PUBCHEM_GENERIC_REGISTRY_NAME>
348-66-3

> <PUBCHEM_XREF_EXT_ID>
C00515

> <PUBCHEM_GENBANK_PROTEIN_ID>
1127164
1127165
1633194
1633195
1633196
1633197
1633198
1633199
1633200
1633201
2392241
2392242
2392243
2392244
2392245
2392246
2392247
2392248
2392255
2392256
2392257
2392258
2392259
2392260
2392261
2392262
2624595
2624596
2981895
2981896
3212748
3212749
3212821
3212822
3319059
3319060
3319081
3319082
4139594
4139595
11513459
11513463
11513721
11513722
11514353
11514354
20149793
48425898
48425899

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.genome.jp/dbget-bin/www_bget?cpd+C00515

> <PUBCHEM_CID_ASSOCIATIONS>
71082  1

> <PUBCHEM_BONDANNOTATIONS>
2  9  5

$$$$