Marvin  11070713132D          

 13 12  0  0  0  0            999 V2000
    1.4289   -0.1904    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1434    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.0154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.1904    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434    0.2221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.0154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    1.0471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  1  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  6  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
M  END
> <ID>
CHEBI:16026

> <NAME>
LL-2,6-diaminopimelic acid

> <DEFINITION>
A 2,6-diaminopimelic acid in which both chiral centres have S configuration. It is a component of bacterial cell wall.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:6341; CHEBI:21429

> <SYNONYM>
LL-2,6-Diaminopimelic acid; LL-2,6-Diaminopimelate; LL-2,6-Diaminoheptanedioate; L,L-2,6-diaminopimelic acid; (S-(R*,R*))-2,6-diaminoheptanedioic acid; (S,S)-2,6-diaminopimelic acid

> <IUPAC_NAME>
(2S,6S)-2,6-diaminoheptanedioic acid

> <FORMULA>
C7H14N2O4

> <MASS>
190.19714

> <MONOISOTOPIC_MASS>
190.09536

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1

> <INCHIKEY>
GMKMEZVLHJARHF-WHFBIAKZSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1726901

> <CAS_REGISTRY_NUMBER>
14289-34-0

> <REAXYS_REGISTRY_NUMBER>
1726901

> <CHEMIDPLUS>
14289-34-0

> <KEGG_COMPOUND_ACCESSION>
C00666

> <KNAPSACK_ACCESSION>
C00007596

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01170102

$$$$