Marvin  05250818032D          

  9  8  0  0  0  0            999 V2000
    2.1434   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.1768    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4288    1.0605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  1  1  0  0  0  0
  9  3  2  0  0  0  0
  3  4  1  0  0  0  0
  5  2  1  0  0  0  0
  4  6  1  0  0  0  0
  6  5  1  0  0  0  0
  7  3  1  0  0  0  0
M  END
> <ID>
CHEBI:17768

> <NAME>
N-acetylputrescine

> <DEFINITION>
An N-monoacetylalkane-α,ω-diamine that is the N-monoacetyl derivative of putrescine.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:7222; CHEBI:21629; CHEBI:12473

> <SYNONYM>
N-Acetylputrescine

> <IUPAC_NAME>
N-(4-aminobutyl)acetamide

> <FORMULA>
C6H14N2O

> <MASS>
130.18824

> <MONOISOTOPIC_MASS>
130.11061

> <CHARGE>
0

> <SMILES>
CC(=O)NCCCCN

> <INCHI>
InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)

> <INCHIKEY>
KLZGKIDSEJWEDW-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
18233-70-0

> <REAXYS_REGISTRY_NUMBER>
1749697

> <CHEMIDPLUS>
5699-41-2

> <KEGG_COMPOUND_ACCESSION>
C02714

> <METACYC_ACCESSION>
CPD-569

> <PUBMED_CITATION>
10198034; 15073218; 16232710; 197226; 22770225; 23081916; 2320051; 2775189; 3627168; 6257381; 7092834; 7406885; 7630314; 7663691; 7817785; 8441357; 894508; 8955325

$$$$