Ketcher 11071611082D 1   1.00000     0.00000     0

 15 14  0     0  0            999 V2000
   13.7537   -6.7858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8854   -5.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8854   -6.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0198   -4.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0198   -6.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1539   -5.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1539   -6.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7490   -4.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7456   -3.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6126   -5.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2884   -4.7749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230   -5.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2884   -6.7738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230   -6.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6261   -6.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  4  2  1  0     0  0
  5  3  1  0     0  0
  6  4  1  0     0  0
  7  5  1  0     0  0
  2  8  1  0     0  0
  8  9  2  0     0  0
  8 10  1  0     0  0
  3  1  1  0     0  0
 11  6  1  0     0  0
 12 11  1  0     0  0
 13  7  1  0     0  0
 14 12  1  0     0  0
 14 13  1  0     0  0
  1 15  1  0     0  0
M  END
> <ID>
CHEBI:42025

> <NAME>
12-aminododecanoic acid

> <DEFINITION>
An ω-amino fatty acid that is dodecanoic acid in which one of the terminal amino hydrogens has been replaced by an amino group.

> <STAR>
3

> <SYNONYM>
omega-aminolauric acid; omega-aminododecanoic acid; 12-Aminolauric acid; 12-amino-dodecanoic acid

> <IUPAC_NAME>
12-aminododecanoic acid

> <FORMULA>
C12H25NO2

> <MASS>
215.333

> <MONOISOTOPIC_MASS>
215.18853

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)

> <INCHIKEY>
PBLZLIFKVPJDCO-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
693-57-2

> <REAXYS_REGISTRY_NUMBER>
907502

> <CHEMIDPLUS>
693-57-2

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMFA01100005

> <PDBECHEM_ACCESSION>
DOA

> <AGRICOLA_CITATION>
IND43939339; IND86056176

> <PUBMED_CITATION>
15261290; 16750613; 17256367; 17266343; 18685217; 19420719; 21289408; 21382714; 22593719; 22709433; 22917277; 25912724; 26969251; 27107110; 27541724

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