Marvin  10040710232D          

  6  5  0  0  0  0            999 V2000
   -0.3572   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -0.2062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7862    0.2062    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  6  1  0  0  0  0
M  END
> <ID>
CHEBI:17148

> <NAME>
putrescine

> <DEFINITION>
A four-carbon alkane-α,ω-diamine. It is obtained by the breakdown of amino acids and is responsible for the foul odour of putrefying flesh.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:45092; CHEBI:8650; CHEBI:14972; CHEBI:26405

> <SYNONYM>
Tetramethylenediamine; Tetramethylendiamin; Putreszin; Putrescine; putrescina; Putrescin; H2N(CH2)4NH2; butylenediamine; Butane-1,4-diamine; 1,4-tetramethylenediamine; 1,4-DIAMINOBUTANE; 1,4-butylenediamine; 1,4-Butanediamine

> <IUPAC_NAME>
butane-1,4-diamine

> <FORMULA>
C4H12N2

> <MASS>
88.15150

> <MONOISOTOPIC_MASS>
88.10005

> <CHARGE>
0

> <SMILES>
NCCCCN

> <INCHI>
InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2

> <INCHIKEY>
KIDHWZJUCRJVML-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
605282

> <CAS_REGISTRY_NUMBER>
110-60-1

> <GMELIN_REGISTRY_NUMBER>
1715

> <REAXYS_REGISTRY_NUMBER>
605282

> <CHEMIDPLUS>
110-60-1

> <DRUGBANK_ACCESSION>
DB01917

> <ECMDB_ACCESSION>
ECMDB01414

> <KEGG_COMPOUND_ACCESSION>
C00134

> <KNAPSACK_ACCESSION>
C00001428

> <METACYC_ACCESSION>
PUTRESCINE

> <NIST_CHEMISTRY_WEBBOOK>
110-60-1

> <PDBECHEM_ACCESSION>
PUT

> <WIKIPEDIA_ACCESSION>
Putrescine

> <YMDB_ACCESSION>
YMDB00132

> <PUBMED_CITATION>
12053479; 15453685; 16346523; 18721677; 22735334; 24331418; 24820075; 24864091

$$$$