Marvin  05041016262D          

 12 11  0  0  1  0            999 V2000
   11.7532   -3.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7532   -2.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4706   -4.2289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0357   -4.2289    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2988   -3.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8444   -3.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5813   -4.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1269   -4.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0357   -5.0628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3901   -3.7829    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    7.4095   -2.9685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6532   -4.2096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  4  9  1  1  0  0  0
  7  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
 10  8  1  0  0  0  0
 12 10  1  0  0  0  0
 11 10  1  0  0  0  0
M  END
> <ID>
CHEBI:40520

> <NAME>
(S)-2-amino-6-boronohexanoic acid

> <DEFINITION>
L-Norleucine substituted at C-6 with a borono group.

> <STAR>
3

> <SYNONYM>
ABH; 2(S)-AMINO-6-BORONOHEXANOIC ACID

> <IUPAC_NAME>
6-borono-L-norleucine; 6-(dihydroxyboryl)-L-norleucine; (2S)-2-amino-6-boronohexanoic acid; (2S)-2-amino-6-(dihydroxyboryl)hexanoic acid

> <FORMULA>
C6H14BNO4

> <MASS>
174.99100

> <MONOISOTOPIC_MASS>
175.10159

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H14BNO4/c8-5(6(9)10)3-1-2-4-7(11)12/h5,11-12H,1-4,8H2,(H,9,10)/t5-/m0/s1

> <INCHIKEY>
HFKKMXCOJQIYAH-YFKPBYRVSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
8486411

> <DRUGBANK_ACCESSION>
DB01983

> <PUBMED_CITATION>
16141327

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