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CHEBI:15616 - (3S,5S)-3,5-diaminohexanoic acid

Default Structure
ChEBI IDCHEBI:15616
ChEBI Name(3S,5S)-3,5-diaminohexanoic acid
Stars
ASCII Name(3S,5S)-3,5-diaminohexanoic acid
DefinitionA chiral diamino acid consisting of hexanoic acid having amino substituents at the 3- and 5-positions and (S,S)-configuration.
Secondary ChEBI IDsCHEBI:220, CHEBI:10894, CHEBI:13065, CHEBI:18574
Last Modified1 December 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC6H14N2O2
Net Charge0
Average Mass146.190
Monoisotopic Mass146.10553
SMILESC[C@H](N)C[C@H](N)CC(=O)O
InChIInChI=1S/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m0/s1
InChIKeyNGDLSXMSQYUVSJ-WHFBIAKZSA-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).
ChEBI Ontology
Outgoing Relation(s)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) has functional parent hexanoic acid (CHEBI:30776)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) is a diamino acid (CHEBI:35987)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) is a β-amino acid (CHEBI:33706)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) is conjugate acid of (3S,5S)-3,5-diaminohexanoate (CHEBI:21282)
(3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616) is conjugate base of (3S,5S)-3,5-diammoniohexanoate (CHEBI:57436)
Incoming Relation(s)
(3S,5S)-3,5-diammoniohexanoate (CHEBI:57436) is conjugate acid of (3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616)
(3S,5S)-3,5-diaminohexanoate (CHEBI:21282) is conjugate base of (3S,5S)-3,5-diaminohexanoic acid (CHEBI:15616)
IUPAC Name 
(3S,5S)-3,5-diaminohexanoic acid
Synonyms  Source
(3S,5S)-3,5-diaminocaproic acidChEBI
L-erythro-3,5-diaminohexanoic acidChEBI
Manual XrefsDatabases
C01186KEGG COMPOUND
C01186KEGG COMPOUND