EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:67238
ChEBI Name(S)-(+)-4-(5-carboxypentyl)methamphetamine
Stars
ASCII Name(S)-(+)-4-(5-carboxypentyl)methamphetamine
DefinitionA monocarboxylic acid comprised of hexanoic acid substituted on C-6 by a 4-[(2S)-2-(methylamino)propyl]phenyl group.
Last Modified6 January 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H25NO2
Net Charge0
Average Mass263.381
Monoisotopic Mass263.18853
SMILESCN[C@@H](C)Cc1ccc(CCCCCC(=O)O)cc1
InChIInChI=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
InChIKeyLRPWOTTUPMGYOO-ZDUSSCGKSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
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 Relation(s)
(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  Source
(+)-METH-P6ChEBI
(+)-4-(5-carboxypentyl)methamphetamineChEBI
Citations