Mrv0541 10031411282D          

 19 18  0  0  1  0            999 V2000
   11.3327  -11.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3327  -10.5345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6182  -11.7720    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6182  -12.5971    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0459  -11.3595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7603  -11.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9037  -11.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4747  -11.3595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1893  -11.7720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0472  -11.7720    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0479  -10.5130    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.7634  -10.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7655   -9.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4770  -10.5165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3335  -10.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6190  -10.5130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9044  -10.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899  -10.5130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9045   -9.2752    0.0000 O   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
  3  4  1  1  0  0  0
  3  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8  9  1  0  0  0  0
 10  1  1  0  0  0  0
 11  5  1  1  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 11 12  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 17  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <ID>
CHEBI:16927

> <NAME>
L-saccharopine

> <DEFINITION>
The N6-(1,3-dicarboxypropan-1-yl) derivative of L-lysine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45721; CHEBI:7406; CHEBI:12660; CHEBI:21861

> <SYNONYM>
Saccharopine; N6-(L-1,3-Dicarboxypropyl)-L-lysine; N-[(S)-5-Amino-5-carboxypentyl]-L-glutamic acid; L-Saccharopine; epsilon-N-(L-Glutar-2-yl)-L-lysine

> <IUPAC_NAME>
N-[(5S)-5-amino-5-carboxypentyl]-L-glutamic acid

> <FORMULA>
C11H20N2O6

> <MASS>
276.28630

> <MONOISOTOPIC_MASS>
276.13214

> <CHARGE>
0

> <SMILES>
N[C@@H](CCCCN[C@@H](CCC(O)=O)C(O)=O)C(O)=O

> <INCHI>
InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1

> <INCHIKEY>
ZDGJAHTZVHVLOT-YUMQZZPRSA-N

> <CAS_REGISTRY_NUMBER>
997-68-2

> <REAXYS_REGISTRY_NUMBER>
3063139

> <CHEMIDPLUS>
997-68-2

> <KEGG_COMPOUND_ACCESSION>
C00449

> <KNAPSACK_ACCESSION>
C00007227

> <METACYC_ACCESSION>
SACCHAROPINE

> <PDBECHEM_ACCESSION>
SHR

> <WIKIPEDIA_ACCESSION>
Saccharopine

> <PUBMED_CITATION>
22449979; 22862918

$$$$