ChEBI
  Marvin  09120515202D          

  6  5  0  0  0  0            999 V2000
    5.5357   -4.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8274   -3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2440   -2.8058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1109   -4.0412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2522   -3.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9667   -4.0419    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  3  5  2  0  0  0  0
  2  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  6  1  0  0  0  0
M  END
> <ID>
CHEBI:18090

> <NAME>
3-aminopropanal

> <DEFINITION>
A propanal having an amino substituent at the 3-position

> <STAR>
3

> <SECONDARY_ID>
CHEBI:11758; CHEBI:19966; CHEBI:1455

> <SYNONYM>
beta-Aminopropion aldehyde; 3-Aminopropionaldehyde; 3-Aminopropanal

> <IUPAC_NAME>
3-aminopropanal

> <FORMULA>
C3H7NO

> <MASS>
73.09382

> <MONOISOTOPIC_MASS>
73.05276

> <CHARGE>
0

> <SMILES>
[H]C(=O)CCN

> <INCHI>
InChI=1S/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2

> <INCHIKEY>
PCXDJQZLDDHMGX-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1738024

> <CAS_REGISTRY_NUMBER>
352-92-1

> <CHEMIDPLUS>
352-92-1

> <KEGG_COMPOUND_ACCESSION>
C02229

$$$$