Marvin  05220817422D          

 16 15  0  0  0  0            999 V2000
    4.5937    2.4187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3082    1.1812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5937    1.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1648    1.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4503    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7359    1.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8793    1.1812    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8793    0.3562    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0214    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069    1.5937    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4075    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220    2.4187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1220    1.5937    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.8365    1.1812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5510    1.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2654    1.1812    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0  0  0  0
  3  2  1  0  0  0  0
  3  7  1  0  0  0  0
  7  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 13 12  1  1  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <ID>
CHEBI:21858

> <NAME>
hypusine

> <DEFINITION>
An L-lysine derivative that is L-lysine bearing a (2R)-4-amino-2-hydroxybutyl substituent at position N6.

> <STAR>
3

> <SYNONYM>
(+)-hypusine

> <IUPAC_NAME>
N(6)-[(2R)-4-amino-2-hydroxybutyl]-L-lysine

> <FORMULA>
C10H23N3O3

> <MASS>
233.30804

> <MONOISOTOPIC_MASS>
233.17394

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C10H23N3O3/c11-5-4-8(14)7-13-6-2-1-3-9(12)10(15)16/h8-9,13-14H,1-7,11-12H2,(H,15,16)/t8-,9+/m1/s1

> <INCHIKEY>
BZUIJMCJNWUGKQ-BDAKNGLRSA-N

> <CAS_REGISTRY_NUMBER>
34994-11-1

> <CHEMIDPLUS>
34994-11-1

> <PDBECHEM_ACCESSION>
5CT

> <PUBMED_CITATION>
17476569; 19379712; 21360085; 3114263; 6434336; 8347280; 8820901; 9748364

$$$$