Marvin  05230723522D          

 24 26  0  0  1  0            999 V2000
   -0.1604   -1.3558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.0741   -0.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5933   -1.6914    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7328   -0.3638    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1453   -1.0783    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9658   -1.1645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7648   -2.4984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8748   -1.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5893   -1.3558    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3038   -1.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0182   -1.3558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4472   -1.3558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5893   -0.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7327   -1.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8531    1.4698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8531    0.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5676    1.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5675    0.2323    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820    1.4697    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2820    0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0684    0.3899    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5835    1.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0684    1.7247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5676    2.7072    0.0000 N   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
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  3  7  1  6  0  0  0
  1  8  1  1  0  0  0
  9  8  1  0  0  0  0
  4 21  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 14 11  1  0  0  0  0
 12 14  1  0  0  0  0
  9 13  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 23  1  0  0  0  0
 16 18  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  2  0  0  0  0
 24 17  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
M  CHG  1   9   1
M  END
> <ID>
CHEBI:15625

> <NAME>
S-adenosylmethioninamine

> <DEFINITION>
The S-adenosyl derivative of methioninamine. It acts as the aminopropyl donor in the biosynthesis of the polyamines, spermidine and spermine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:12743; CHEBI:22035; CHEBI:10906; CHEBI:12762; CHEBI:8947

> <SYNONYM>
S-methyladenosylhomocysteamine; S-methyl-S-adenosylhomocysteamine; S-methyl-S-adenosyl homocysteamine; S-adenosylmethioninamine; S-Adenosylmethioninamine; S-adenosylmethionamine; S-adenosyl-3-methylthiopropylamine; S-adenosyl-(5')-3-methylthiopropylamine; S-adenosyl 3-(methylthio)propylamine; S-adenosyl 3-(methylsulfanyl)propylamine; decarboxylated SAM; decarboxylated S-adenosylmethionine; decarboxylated AdoMet; dcSAM; dcAdoMet; dc-SAM; dAdoMet; [1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl](3-aminopropyl)(methyl)sulfonium; (5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium salt; (5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium cation; (5-Deoxy-5-adenosyl)(3-aminopropyl)methylsulfonium

> <IUPAC_NAME>
(3-aminopropyl)(5'-deoxyadenosin-5'-yl)(methyl)sulfonium

> <FORMULA>
C14H23N6O3S

> <MASS>
355.43706

> <MONOISOTOPIC_MASS>
355.15469

> <CHARGE>
1

> <SMILES>
C[S+](CCCN)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

> <INCHI>
InChI=1S/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1/t8-,10-,11-,14-,24?/m1/s1

> <INCHIKEY>
ZUNBITIXDCPNSD-LSRJEVITSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
4161053

> <CAS_REGISTRY_NUMBER>
22365-13-5

> <CHEMIDPLUS>
22365-13-5

> <KEGG_COMPOUND_ACCESSION>
C01137

> <WIKIPEDIA_ACCESSION>
S-Adenosylmethioninamine

> <PUBMED_CITATION>
15130560; 17822713; 20523031; 20950271; 3006760; 3409208; 3728970; 4084287; 6439194; 6621404; 6807294; 7391043; 7396502; 7448956; 869190

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