(S)-(+)-4-(5-carboxypentyl)methamphetamine (CHEBI:67238)

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ChEBI Name	(S)-(+)-4-(5-carboxypentyl)methamphetamine

ChEBI ID	CHEBI:67238

ChEBI ASCII Name	(S)-(+)-4-(5-carboxypentyl)methamphetamine

Definition	A monocarboxylic acid comprised of hexanoic acid substituted on C-6 by a 4-[(2S)-2-(methylamino)propyl]phenyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C16H25NO2

Net Charge

Average Mass

263.37520

Monoisotopic Mass

263.18853

InChI

InChI=1S/C16H25NO2/c1-13(17-2)12-15-10-8-14(9-11-15)6-4-3-5-7-16(18)19/h8-11,13,17H,3-7,12H2,1-2H3,(H,18,19)/t13-/m0/s1

InChIKey

LRPWOTTUPMGYOO-ZDUSSCGKSA-N

SMILES

CN[C@@H](C)Cc1ccc(CCCCCC(O)=O)cc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	hapten Any substance capable of eliciting an immune response only when attached to a large carrier such as a protein. Examples include dinitrophenols; oligosaccharides; peptides; and heavy metals.

ChEBI Ontology
Outgoing	(S)-(+)-4-(5-carboxypentyl)methamphetamine (CHEBI:67238) has functional parent hexanoic acid (CHEBI:30776) (S)-(+)-4-(5-carboxypentyl)methamphetamine (CHEBI:67238) has functional parent methamphetamine (CHEBI:6809) (S)-(+)-4-(5-carboxypentyl)methamphetamine (CHEBI:67238) has role hapten (CHEBI:59174) (S)-(+)-4-(5-carboxypentyl)methamphetamine (CHEBI:67238) is a monocarboxylic acid (CHEBI:25384) (S)-(+)-4-(5-carboxypentyl)methamphetamine (CHEBI:67238) is a secondary amino compound (CHEBI:50995)

IUPAC Name

6-{4-[(2S)-2-(methylamino)propyl]phenyl}hexanoic acid

Synonyms	Sources
(+)-4-(5-carboxypentyl)methamphetamine	ChEBI
(+)-METH-P6	ChEBI

Last Modified

06 January 2014