Ketcher 11211914042D 1   1.00000     0.00000     0

 10  9  0     0  0            999 V2000
   13.2617   -7.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2617   -6.8467    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4126   -8.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1367   -8.3266    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9947   -7.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8613   -8.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7280   -7.8116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5945   -8.3120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4612   -7.8116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5945   -9.3127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  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
  8 10  2  0     0  0
M  END
> <ID>
CHEBI:15728

> <NAME>
4-guanidinobutanoic acid

> <DEFINITION>
The 4-guanidino derivative of butanoic acid.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1834; CHEBI:11991; CHEBI:20372

> <SYNONYM>
gamma-Guanidinobutyric acid; gamma-Guanidinobutyrate; 4-Guanidinobutyric acid; 4-Guanidinobutyric acid; 4-Guanidinobutanoate; 4-carbamimidamidobutanoic acid

> <IUPAC_NAME>
4-(carbamimidamido)butanoic acid

> <FORMULA>
C5H11N3O2

> <MASS>
145.162

> <MONOISOTOPIC_MASS>
145.08513

> <CHARGE>
0

> <SMILES>
C(=N)(N)NCCCC(O)=O

> <INCHI>
InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)

> <INCHIKEY>
TUHVEAJXIMEOSA-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
463-00-3

> <REAXYS_REGISTRY_NUMBER>
1766447

> <CHEMIDPLUS>
463-00-3

> <KEGG_COMPOUND_ACCESSION>
C01035

> <PDBECHEM_ACCESSION>
ALG

> <PUBMED_CITATION>
22735334

$$$$