Molecule

12-Aminododecanoic acid

AlkaPlorer ID: AK104168

Synonym: None

IUPAC Name: 12-aminododecanoic acid

SMILES: NCCCCCCCCCCCC(=O)O

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

PubChem CID: 69661

CAS: 693-57-2

LOTUS: LTS0059001

NPASS: NPC50457

COCONUT: CNP0125044

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 215.337

TPSA？: 63.32000000000001

MolLogP？: 2.9307000000000007

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 0

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Androgen Receptor	Potency	44668.4	nM	None
Homo sapiens	Cellular tumor antigen p53	Potency	10000.0	nM	None
None	CD40 mRNA	UTC	68.0	%	10.1021/jm050490b
None	CD40 mRNA	UTC	85.0	%	10.1021/jm050490b
None	CD40 mRNA	UTC	102.0	%	10.1021/jm050490b
None	Radical scavenging activity	Activity	87.1	%	10.1007/s00044-013-0536-1

AKRT ID	Reaction	Reaction Link ID
AKRT007339	CCC=O.NCCCCCCCCCCCC(=O)O>>CCCN.O=CCCCCCCCCCCC(=O)O	None
AKRT007340	CCC=O.NCCCCCCCCCCCC(=O)O>>O=CCCCCCCCCCCC(=O)O	enzymemap_41702
AKRT017939	NCCCCCCCCCCCC(=O)O>>CCCN	enzymemap_41702
AKRT023532	O=C1CCCCCCCCCCCN1>>NCCCCCCCCCCCC(=O)O	enzymemap_78441