Ketcher 06022314572D 1   1.00000     0.00000     0

 10  9  0     0  0            999 V2000
   12.4392  -11.0754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5732  -11.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7073  -11.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412  -11.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9752  -11.0754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1093  -11.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2432  -11.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3772  -11.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5113  -11.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6452  -11.5755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
M  ISO  4   6  13   7  13   8  13   9  13
M  END
> <ID>
CHEBI:195243

> <NAME>
spermidine-(butyl-(13)C4)

> <DEFINITION>
A spermidine in which four carbon atoms have been replaced by the 13C isotope.

> <STAR>
3

> <SYNONYM>
N'-(3-aminopropyl)(1,2,3,4-(13)C4)butane-1,4-diamine

> <IUPAC_NAME>
N-(3-aminopropyl)((13)C4)butane-1,4-diamine

> <FORMULA>
C3[13C]4H19N3

> <MASS>
149.219

> <MONOISOTOPIC_MASS>
149.17132

> <CHARGE>
0

> <SMILES>
NCCCN[13CH2][13CH2][13CH2][13CH2]N

> <INCHI>
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2/i1+1,2+1,4+1,6+1

> <INCHIKEY>
ATHGHQPFGPMSJY-UIWMGSJQSA-N

> <PUBMED_CITATION>
34425701

$$$$