ChEBI


 10  9  0  0  1  0  0  0  0  0  1 V2000
    9.3813   -5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5311   -6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6541   -5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8039   -6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9537   -5.6088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1035   -6.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813   -4.2986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2315   -6.2773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6541   -4.2986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2533   -5.6088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  8  1  1  0  0  0  0
  7  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  3  9  1  1  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
 10  6  1  0  0  0  0
M  END
> <ID>
CHEBI:15613

> <NAME>
(3S)-3,6-diaminohexanoic acid

> <DEFINITION>
A chiral diamino acid consisting of hexanoic acid having amino substituents at the 3- and 6-positions and (S)-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:10885; CHEBI:206; CHEBI:18564

> <SYNONYM>
L-beta-Lysine; L-beta-lysine; (3S)-3,6-diaminohexanoic acid; (3S)-3,6-Diaminohexanoate

> <IUPAC_NAME>
(3S)-3,6-diaminohexanoic acid

> <FORMULA>
C6H14N2O2

> <MASS>
146.18764

> <MONOISOTOPIC_MASS>
146.10553

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1

> <INCHIKEY>
QKEWQOJCHPFEAF-YFKPBYRVSA-N

> <KEGG_COMPOUND_ACCESSION>
C01142

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